3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one

C19H18O3 — CID 882597

IUPAC3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one
SMILESCc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
InChIInChI=1S/C19H18O3/c1-12-4-6-15(7-5-12)11-21-16-8-9-17-13(2)14(3)19(20)22-18(17)10-16/h4-10H,11H2,1-3H3
InChIKeyGXFXMBTYRNXLMV-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.30
Rot. Bonds3

About 3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one

3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one (PubChem CID 882597) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one.

Molecular Properties

Compound Name3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one
PubChem CID882597
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one
SMILESCc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
InChIInChI=1S/C19H18O3/c1-12-4-6-15(7-5-12)11-21-16-8-9-17-13(2)14(3)19(20)22-18(17)10-16/h4-10H,11H2,1-3H3
InChIKeyGXFXMBTYRNXLMV-UHFFFAOYSA-N
XLogP4.30
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-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

Coumaphos
CID 2871
Osthol
CID 10228
4-Methylumbelliferone
CID 5280567
5,7-Dimethoxycoumarin
CID 2775
Auraptene
CID 1550607
Methylumbelliferone
CID 10748
Columbianadin
CID 6436246
Visnadine
CID 442151
4-Methyl-7-(2-propyn-1-yloxy)-2H-1-benzopyran-2-one
CID 68872
4-Methylumbelliferyl acetate
CID 366
7-Ethoxycoumarin
CID 35703
5,7-Dihydroxy-4-methylcoumarin
CID 5354284

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one?
The IUPAC name of 3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one (CID 882597) is 3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one.
What is the SMILES notation for 3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one?
The canonical SMILES for 3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one is Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1.
What is the InChIKey of 3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one?
The InChIKey is GXFXMBTYRNXLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-12-4-6-15(7-5-12)11-21-16-8-9-17-13(2)14(3)19(20)22-18(17)10-16/h4-10H,11H2,1-3H3.
What are the key properties of 3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one?
3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one has a molecular weight of 294.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one is sourced from PubChem (CID 882597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).