1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one

C18H20O6 — CID 54483282

IUPAC1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(C(O)C(=O)Cc2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C18H20O6/c1-22-12-6-4-11(5-7-12)18(21)16(20)10-14-15(19)8-13(23-2)9-17(14)24-3/h4-9,18-19,21H,10H2,1-3H3
InChIKeyXQNIMJSHYLPWOR-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.26
Rot. Bonds7

About 1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one

1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one (PubChem CID 54483282) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one
PubChem CID54483282
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(C(O)C(=O)Cc2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C18H20O6/c1-22-12-6-4-11(5-7-12)18(21)16(20)10-14-15(19)8-13(23-2)9-17(14)24-3/h4-9,18-19,21H,10H2,1-3H3
InChIKeyXQNIMJSHYLPWOR-UHFFFAOYSA-N
XLogP2.26
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone
CID 91509834
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
(2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid
CID 172824668
1-(3,4-dimethoxyphenyl)-1-hydroxy-3-(2-hydroxyphenyl)propan-2-one
CID 141195556
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 44611838
(1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one
CID 135044338
3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid
CID 70435403
calcium bis(2-hydroxy-2-(4-methoxyphenyl)acetate)
CID 140565006
1-(2,4-dimethoxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 14018354
(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-methylacetamide
CID 92859938

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one?
The IUPAC name of 1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one (CID 54483282) is 1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one is COc1ccc(C(O)C(=O)Cc2c(O)cc(OC)cc2OC)cc1.
What is the InChIKey of 1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one?
The InChIKey is XQNIMJSHYLPWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-22-12-6-4-11(5-7-12)18(21)16(20)10-14-15(19)8-13(23-2)9-17(14)24-3/h4-9,18-19,21H,10H2,1-3H3.
What are the key properties of 1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one?
1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one has a molecular weight of 332.35 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 54483282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).