2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one

C17H16O3 — CID 57131800

IUPAC2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one
SMILESCc1ccc(C2(O)Oc3ccccc3C(=O)C2C)cc1
InChIInChI=1S/C17H16O3/c1-11-7-9-13(10-8-11)17(19)12(2)16(18)14-5-3-4-6-15(14)20-17/h3-10,12,19H,1-2H3
InChIKeyWBPQCIIKGQGASL-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.05
Rot. Bonds1

About 2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one

2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one (PubChem CID 57131800) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one.

Molecular Properties

Compound Name2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one
PubChem CID57131800
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one
SMILESCc1ccc(C2(O)Oc3ccccc3C(=O)C2C)cc1
InChIInChI=1S/C17H16O3/c1-11-7-9-13(10-8-11)17(19)12(2)16(18)14-5-3-4-6-15(14)20-17/h3-10,12,19H,1-2H3
InChIKeyWBPQCIIKGQGASL-UHFFFAOYSA-N
XLogP3.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one?
The IUPAC name of 2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one (CID 57131800) is 2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one.
What is the SMILES notation for 2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one?
The canonical SMILES for 2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one is Cc1ccc(C2(O)Oc3ccccc3C(=O)C2C)cc1.
What is the InChIKey of 2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one?
The InChIKey is WBPQCIIKGQGASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-11-7-9-13(10-8-11)17(19)12(2)16(18)14-5-3-4-6-15(14)20-17/h3-10,12,19H,1-2H3.
What are the key properties of 2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one?
2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one has a molecular weight of 268.31 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one is sourced from PubChem (CID 57131800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).