4,6-dihydroxy-3,7-dimethylchromen-2-one

C11H10O4 — CID 102497049

IUPAC4,6-dihydroxy-3,7-dimethylchromen-2-one
SMILESCc1cc2oc(=O)c(C)c(O)c2cc1O
InChIInChI=1S/C11H10O4/c1-5-3-9-7(4-8(5)12)10(13)6(2)11(14)15-9/h3-4,12-13H,1-2H3
InChIKeyZJTMROMSCIWWOV-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.82
Rot. Bonds

About 4,6-dihydroxy-3,7-dimethylchromen-2-one

4,6-dihydroxy-3,7-dimethylchromen-2-one (PubChem CID 102497049) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4,6-dihydroxy-3,7-dimethylchromen-2-one.

Molecular Properties

Compound Name4,6-dihydroxy-3,7-dimethylchromen-2-one
PubChem CID102497049
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name4,6-dihydroxy-3,7-dimethylchromen-2-one
SMILESCc1cc2oc(=O)c(C)c(O)c2cc1O
InChIInChI=1S/C11H10O4/c1-5-3-9-7(4-8(5)12)10(13)6(2)11(14)15-9/h3-4,12-13H,1-2H3
InChIKeyZJTMROMSCIWWOV-UHFFFAOYSA-N
XLogP1.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dihydroxy-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

3,4,7-trihydroxy-6-methylchromen-2-one
CID 156582420
4-hydroxy-3,7-dimethylchromen-2-one
CID 54727939
6-hydroxy-4,7-dimethyl-3-propylchromen-2-one
CID 3066744
4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one
CID 54736430
4-hydroxy-3-methylchromen-2-one
CID 54687016
4,7,8-trihydroxy-3-methylchromen-2-one
CID 57357781
1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone
CID 90143254
3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one
CID 137098680
2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one
CID 175527129
7-hydroxy-3,4-dimethyl-2-oxochromene-6-sulfonyl chloride
CID 121006290
4-hydroxy-3-[1-(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)-2-nitrosoethyl]-6,7-dimethylchromen-2-one
CID 91298838
3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one
CID 155119057

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-3,7-dimethylchromen-2-one?
The IUPAC name of 4,6-dihydroxy-3,7-dimethylchromen-2-one (CID 102497049) is 4,6-dihydroxy-3,7-dimethylchromen-2-one.
What is the SMILES notation for 4,6-dihydroxy-3,7-dimethylchromen-2-one?
The canonical SMILES for 4,6-dihydroxy-3,7-dimethylchromen-2-one is Cc1cc2oc(=O)c(C)c(O)c2cc1O.
What is the InChIKey of 4,6-dihydroxy-3,7-dimethylchromen-2-one?
The InChIKey is ZJTMROMSCIWWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-5-3-9-7(4-8(5)12)10(13)6(2)11(14)15-9/h3-4,12-13H,1-2H3.
What are the key properties of 4,6-dihydroxy-3,7-dimethylchromen-2-one?
4,6-dihydroxy-3,7-dimethylchromen-2-one has a molecular weight of 206.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-3,7-dimethylchromen-2-one is sourced from PubChem (CID 102497049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).