5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C16H12O7 — CID 15838821

IUPAC5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SMILESCc1c(O)cc2oc(-c3cc(O)c(O)c(O)c3)cc(=O)c2c1O
InChIInChI=1S/C16H12O7/c1-6-8(17)4-13-14(15(6)21)9(18)5-12(23-13)7-2-10(19)16(22)11(20)3-7/h2-5,17,19-22H,1H3
InChIKeyDRBOCOHLHZLJOH-UHFFFAOYSA-N
MW316.27 g/mol
LogP2.30
Rot. Bonds1

About 5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one

5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one (PubChem CID 15838821) has the molecular formula C16H12O7 and a molecular weight of 316.27 g/mol. Its IUPAC name is 5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one
PubChem CID15838821
Molecular FormulaC16H12O7
Molecular Weight316.27 g/mol
Exact Mass316.06
IUPAC Name5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SMILESCc1c(O)cc2oc(-c3cc(O)c(O)c(O)c3)cc(=O)c2c1O
InChIInChI=1S/C16H12O7/c1-6-8(17)4-13-14(15(6)21)9(18)5-12(23-13)7-2-10(19)16(22)11(20)3-7/h2-5,17,19-22H,1H3
InChIKeyDRBOCOHLHZLJOH-UHFFFAOYSA-N
XLogP2.30
TPSA131.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 52.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)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

Related Compounds

5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
5,7-dihydroxy-2,6-dimethylchromen-4-one
CID 5036604
2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one
CID 131834556
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one
CID 95048626
2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one
CID 11426691
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174845080
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methylchromen-4-one
CID 162817904
6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one
CID 56625703
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643
6,7-dimethoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 71436763

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one (CID 15838821) is 5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one is Cc1c(O)cc2oc(-c3cc(O)c(O)c(O)c3)cc(=O)c2c1O.
What is the InChIKey of 5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
The InChIKey is DRBOCOHLHZLJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O7/c1-6-8(17)4-13-14(15(6)21)9(18)5-12(23-13)7-2-10(19)16(22)11(20)3-7/h2-5,17,19-22H,1H3.
What are the key properties of 5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one?
5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one has a molecular weight of 316.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one is sourced from PubChem (CID 15838821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).