4-hydroxy-3,7-dimethylchromen-2-one

C11H10O3 — CID 54727939

IUPAC4-hydroxy-3,7-dimethylchromen-2-one
SMILESCc1ccc2c(O)c(C)c(=O)oc2c1
InChIInChI=1S/C11H10O3/c1-6-3-4-8-9(5-6)14-11(13)7(2)10(8)12/h3-5,12H,1-2H3
InChIKeyDWHPJLOMTPJWOH-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.12
Rot. Bonds

About 4-hydroxy-3,7-dimethylchromen-2-one

4-hydroxy-3,7-dimethylchromen-2-one (PubChem CID 54727939) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-hydroxy-3,7-dimethylchromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3,7-dimethylchromen-2-one
PubChem CID54727939
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name4-hydroxy-3,7-dimethylchromen-2-one
SMILESCc1ccc2c(O)c(C)c(=O)oc2c1
InChIInChI=1S/C11H10O3/c1-6-3-4-8-9(5-6)14-11(13)7(2)10(8)12/h3-5,12H,1-2H3
InChIKeyDWHPJLOMTPJWOH-UHFFFAOYSA-N
XLogP2.12
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3,7-dimethylchromen-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

4-hydroxy-3-methylchromen-2-one
CID 54687016
4,6-dihydroxy-3,7-dimethylchromen-2-one
CID 102497049
7,9-dihydroxy-3-methylbenzo[c]chromen-6-one
CID 167630896
2-(2-aminoethyl)-6-methyl-1-benzofuran-3-ol
CID 112545642
4-hydroxy-3-[(4-hydroxy-7-methyl-2-oxochromen-3-yl)-(4-methoxyphenyl)methyl]-7-methylchromen-2-one
CID 54704455
4,7,8-trihydroxy-3-methylchromen-2-one
CID 57357781
9-bromo-3-methylbenzo[c]chromen-6-one
CID 167533564
2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one
CID 167609389
2,7-dimethylchromen-4-one
CID 2343140
1-hydroxy-6-methylxanthen-9-one
CID 13031893
4-hydroxy-3-[(4-hydroxy-7-methyl-2-oxochromen-3-yl)-quinolin-4-ylmethyl]-7-methylchromen-2-one
CID 59746728
3-(2,4-dimethylphenyl)-4-hydroxychromen-2-one
CID 54676463

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,7-dimethylchromen-2-one?
The IUPAC name of 4-hydroxy-3,7-dimethylchromen-2-one (CID 54727939) is 4-hydroxy-3,7-dimethylchromen-2-one.
What is the SMILES notation for 4-hydroxy-3,7-dimethylchromen-2-one?
The canonical SMILES for 4-hydroxy-3,7-dimethylchromen-2-one is Cc1ccc2c(O)c(C)c(=O)oc2c1.
What is the InChIKey of 4-hydroxy-3,7-dimethylchromen-2-one?
The InChIKey is DWHPJLOMTPJWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-6-3-4-8-9(5-6)14-11(13)7(2)10(8)12/h3-5,12H,1-2H3.
What are the key properties of 4-hydroxy-3,7-dimethylchromen-2-one?
4-hydroxy-3,7-dimethylchromen-2-one has a molecular weight of 190.20 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,7-dimethylchromen-2-one is sourced from PubChem (CID 54727939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).