3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one

C19H22O4 — CID 45278530

IUPAC3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2cc(C)c(C)cc2O)cc1OC
InChIInChI=1S/C19H22O4/c1-12-9-15(17(21)10-13(12)2)16(20)7-5-14-6-8-18(22-3)19(11-14)23-4/h6,8-11,21H,5,7H2,1-4H3
InChIKeyDSXWOWNCQZOSRB-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.84
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one

3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one (PubChem CID 45278530) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one
PubChem CID45278530
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2cc(C)c(C)cc2O)cc1OC
InChIInChI=1S/C19H22O4/c1-12-9-15(17(21)10-13(12)2)16(20)7-5-14-6-8-18(22-3)19(11-14)23-4/h6,8-11,21H,5,7H2,1-4H3
InChIKeyDSXWOWNCQZOSRB-UHFFFAOYSA-N
XLogP3.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-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

3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzoic acid
CID 70358650
1-(3,4-dimethoxyphenyl)-4-methylpentan-3-one
CID 64503586
methyl 4-(3,4-dimethoxyphenyl)-2-oxobutanoate
CID 18370867
3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185238
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
3-(3,4-dimethoxyphenyl)-1-(3-hydroxycyclohexa-1,5-dien-1-yl)propan-1-one
CID 91313320
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
CID 175936648
CID 175936648
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide
CID 108540073
3-[2-(3,4-dimethoxyphenyl)ethylazaniumyl]propanoate
CID 28830380

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one (CID 45278530) is 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one is COc1ccc(CCC(=O)c2cc(C)c(C)cc2O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one?
The InChIKey is DSXWOWNCQZOSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-12-9-15(17(21)10-13(12)2)16(20)7-5-14-6-8-18(22-3)19(11-14)23-4/h6,8-11,21H,5,7H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one?
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one has a molecular weight of 314.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 45278530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).