3,3′,5′-Trihydroxy-4-methoxybibenzyl

CAT: 0127-BUP24099-01Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP24099-01Size:1 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

60640-97-3

Synonyms

Resorcinol, 5- (3-hydroxy-4-methoxyphenethyl) -

Purity

≥98%

Smiles

OC=1C=C (O) C=C (C1) CCC2=CC=C (OC) C (O) =C2

Chemical Information

5-(2-(3-Hydroxy-4-methoxyphenyl)ethyl)benzene-1,3-diol

1,3-Benzenediol, 5-(2-(3-hydroxy-4-methoxyphenyl)ethyl)- has been reported in Dendrobium devonianum and Glycyrrhiza glabra with data available.

CAS Number	60640-97-3
PubChem CID	11459623
IUPAC Name	5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzene-1,3-diol
Molecular Formula	C15H16O4
Molecular Weight	260.28
XLogP	2.4
Topological Polar Surface Area	69.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	261

SMILES

COC1=C(C=C(C=C1)CCC2=CC(=CC(=C2)O)O)O

InChI

InChI=1S/C15H16O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h4-9,16-18H,2-3H2,1H3

InChIKey

XYWLGCOVGGWHHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60640-97-3

CID: 11459623

Formula: C15H16O4

MW: 260.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.28
XLogP3	2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	260.10485899
Monoisotopic Mass	260.10485899
Topological Polar Surface Area	69.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	261
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP02739-01	5, ?7, ?3'-?Trihydroxy-?6, ?4', ?5'-?trimethoxyflavone
OR1074548-01	3,5,7-Trihydroxy-2- (3,4,5-trihydroxyphenyl) chromenylium chloride
OR1055037-01	2,4,6-Trihydroxy-5- (3-methylbutanoyl) isophthalaldehyde
BUP22617-01	5,6,7-Trihydroxy-4'-methoxyflavone
OR1056382-01	2,4,6-Trihydroxy-3-methylbenzaldehyde
OR55089	(3S,4R) -Methyl 3- (4-chlorobenzoyl) -6- (4-chlorophenyl) -3,4,5-trihydroxy-6-oxohexanoate
PC1003087-01	3,5,7-Trihydroxy-2- (4- (trifluoromethyl) phenyl) -4H-chromen-4-one
OR1010018-01	2,4,6-trihydroxy-1,3-dibromobenzene
OR1059102-01	3,4,5-Trihydroxy-N- (prop-2-yn-1-yl) benzamide
IN12686-01	Barium (2R,3R,4R) -2,3,4-trihydroxy-5-oxopentyl phosphate

Catalog	Name
TN8726-01	3,3′,5′-Trihydroxy-4-methoxybibenzyl
TBZ1632	4-Hydroxy-3'-methoxybibenzyl
M38831	3,5-dihydroxy-2- (4-hydroxybenzyl) 3-methoxybibenzyl
TN8571-01	3',5-dihydroxy-2- (4-hydroxybenzyl) 3-methoxybibenzyl
AB2618	3’,5-dihydroxy-2- (4-hydroxybenzyl) 3-methoxybibenzyl
XAA69765-01	4′,5, Trihydroxy-3, dimethoxyflavone
GTR19242797-01	3,3'-dihydroxy-2,6-bis (4-hydroxybenzyl) -5-methoxybibenzyl
MBS5761460	3,5,7-Trihydroxy-3',4',5'-trimethoxyflavone
FT65330	7,3',4'-Trihydroxy-3,5-dimethoxyflavone
HY-N7156	2,3,4'-Trihydroxy-3',5'-dimethoxypropiophenone