7-Hydroxy-3- (4-hydroxybenzyl) chroman

CAT: 0926-FXB50464-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FXB50464-01Size:25 mg

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CAS Number

1180504-64-6

Smiles

CCN (CC) C1=NC (=NC (=N1) Cl) OC

Molecular Formula

C16H16O3

Molecular Weight

256.30 g/mol

Controlled

Chemical Information

7-Hydroxy-3-(4-hydroxybenzyl)chroman

7-Hydroxy-3-(4-hydroxybenzyl)chroman has been reported in Dracaena cochinchinensis, Dracaena cambodiana, and other organisms with data available.

CAS Number	1180504-64-6
PubChem CID	11708657
IUPAC Name	3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol
Molecular Formula	C16H16O3
Molecular Weight	256.30
XLogP	3.4
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	286

SMILES

C1C(COC2=C1C=CC(=C2)O)CC3=CC=C(C=C3)O

InChI

InChI=1S/C16H16O3/c17-14-4-1-11(2-5-14)7-12-8-13-3-6-15(18)9-16(13)19-10-12/h1-6,9,12,17-18H,7-8,10H2

InChIKey

GXMQROMLTBPBKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1180504-64-6

CID: 11708657

Formula: C16H16O3

MW: 256.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.30
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	256.109944368
Monoisotopic Mass	256.109944368
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	286
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
KEA06450-01	7-Hydroxy-3- (4-hydroxybenzylidene) chroman-4-one
JDA63848-01	(3R) -5,7-Dihydroxy-6-methyl-3- (4'-hydroxybenzyl) chroman-4-one
JKA65354-01	5-Hydroxy-7-methoxy-3- (4-hydroxybenzylidene) chroman-4-one
FDA09664	6-Hydroxy-chroman-4-one
OH174137-01	7-Hydroxy-4-chromone
FH12874-01	7-Hydroxy-3-phenyl-chromen-4-one
FE71062-01	3-Ethoxy-4-hydroxybenzyl alcohol
TMB51863	N- (4-Hydroxybenzyl) -3,4-dimethoxybenzamide
FB67229-01	3-Bromo-4-hydroxybenzyl alcohol
MFA98794-01	3- (4-Chlorophenoxy) -7-hydroxy-4H-chromen-4-one

Catalog	Name
M31308-01	7-Hydroxy-3- (4-hydroxybenzyl) chroman
MBS5761717	7-Hydroxy-3-(4-hydroxybenzyl)chroman
HY-44135-01	7-Hydroxy-3- (4-hydroxybenzylidene) chroman-4-one
TBW00630	7-Hydroxy-3-(4-hydroxybenzylidene)chroman-4-one
GTR19242739-01	5,7-dihydroxy-8-methyl-3- (4'-hydroxybenzyl) chroman-4-one
M31951-01	(3R) -5,7-Dihydroxy-6-methyl-3- (4-hydroxybenzyl) chroman-4-one
MBS5760018	(3R)-5,7-Dihydroxy-6-methyl-3-(4'-hydroxybenzyl)chroman-4-one
OR1074691-01	(R) -7-Hydroxy-3- (4-hydroxyphenyl) chroman-4-one
TN3121	5-Hydroxy-7-methoxy-3- (4-hydroxybenzylidene) chroman-4-one
TBW00658	5-Hydroxy-7-methoxy-3-(4-hydroxybenzylidene)chroman-4-one