2'-Hydroxy-2,4,4',5,6'-pentamethoxychalcone

CAT: 0926-YCA69415-01Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-YCA69415-01Size:50 mg

Selected

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

Quick Request Actions

CAS Number

73694-15-2

MDL Number

MFCD00274772

Smiles

COC1=CC (=C (C (=C1) OC) C (=O) C=CC2=CC (=C (C=C2OC) OC) OC) O

Molecular Formula

C20H22O7

Molecular Weight

374.4 g/mol

Controlled

Chemical Information

Rubone

Rubone is a member of chalcones.

CAS Number	73694-15-2
PubChem CID	5951499
IUPAC Name	(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
Molecular Formula	C20H22O7
Molecular Weight	374.4
XLogP	3.7
Topological Polar Surface Area	83.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	495

SMILES

COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC(=C(C=C2OC)OC)OC)O

InChI

InChI=1S/C20H22O7/c1-23-13-9-15(22)20(19(10-13)27-5)14(21)7-6-12-8-17(25-3)18(26-4)11-16(12)24-2/h6-11,22H,1-5H3/b7-6+

InChIKey

VHCQVGQULWFQTM-VOTSOKGWSA-N

Chemical Structure

2D Structure

CAS: 73694-15-2

CID: 5951499

Formula: C20H22O7

MW: 374.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	374.4
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	374.13655304
Monoisotopic Mass	374.13655304
Topological Polar Surface Area	83.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	495
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RDA59159-01	2-Hydroxy-4,5,6-trimethylnicotinonitrile
FH65426-01	2'-Hydroxy-2,5,4',6'-tetramethoxychalcone
ND69830-01	2,4-Diamino-6-hydroxy-5-nitrosopyrimidine
FD21462-01	2,4-Diamino-6-hydroxy-5-nitropyrimidine
XH183013-01	3-Hydroxy-6,2',4',5'-tetramethoxyflavone
UIA29874-01	2-Hydroxy-3,4,5,6-tetramethoxychalcone
FH66394-01	2'-Hydroxy-2,4,4',6'-tetramethoxychalcone
DNB42766-01	2-Hydroxy-5- (2-hydroxy-4-methoxybenzyl) -4-methoxybenzaldehyde
FH67763-01	2'-Hydroxy-4,4',6'-trimethoxychalcone
FH54275-01	2-Hydroxy-4,6-dimethoxyacetophenone

Catalog	Name
GTR19279177-01	2'-hydroxy-3,4,4',5',6'-pentamethoxychalcone
HY-N10607-01	6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone
sc-470911	4-Hydroxy-2,2',3,4',5,5',6-heptachlorobiphenyl
OR27042	2-hydroxy-4,5,6-trimethylnicotinonitrile
sc-506149	2-Hydroxy-4-methoxybenzophenone-2′,3′,4′,5′,6′-d5
TRC-O867306-50MG	2-Hydroxy-4-methoxybenzophenone-2',3',4',5',6'-d5
HY-N9012-01	2-Hydroxy-5- (2-hydroxy-4-methoxybenzyl) -4-methoxybenzaldehyde
MBS5761368	2-Hydroxy-5-(2-hydroxy-4-methoxybenzyl)-4-methoxybenzaldehyde
TRC-H214235-250MG	2'-Hydroxy-4,4',6'-trimethoxychalcone
OR6938-01	4-Hydroxy-2,2,6,6-tetramethylpiperidine