3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one

C18H16O5 — CID 56946608

IUPAC3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
SMILESCOc1cc(-c2oc3cc(C)c(C)cc3c(=O)c2O)ccc1O
InChIInChI=1S/C18H16O5/c1-9-6-12-14(7-10(9)2)23-18(17(21)16(12)20)11-4-5-13(19)15(8-11)22-3/h4-8,19,21H,1-3H3
InChIKeyNGURIRRXLYGCEF-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.50
Rot. Bonds2

About 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one

3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one (PubChem CID 56946608) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
PubChem CID56946608
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
SMILESCOc1cc(-c2oc3cc(C)c(C)cc3c(=O)c2O)ccc1O
InChIInChI=1S/C18H16O5/c1-9-6-12-14(7-10(9)2)23-18(17(21)16(12)20)11-4-5-13(19)15(8-11)22-3/h4-8,19,21H,1-3H3
InChIKeyNGURIRRXLYGCEF-UHFFFAOYSA-N
XLogP3.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-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

3,5,6,7,8-pentahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 178063472
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one
CID 167110086
3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)-6,7-dimethylchromen-4-one
CID 56945298
3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 15907673
3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 6250403
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 10807373
3-hydroxy-6-iodo-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
CID 171355593
6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one
CID 42604870
2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one
CID 1413436
3,5,6-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 141478271
2-(3,4-dihydroxyphenyl)-3-hydroxy-6-methylchromen-4-one
CID 18372894
2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one
CID 18372853

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one?
The IUPAC name of 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one (CID 56946608) is 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one.
What is the SMILES notation for 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one?
The canonical SMILES for 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one is COc1cc(-c2oc3cc(C)c(C)cc3c(=O)c2O)ccc1O.
What is the InChIKey of 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one?
The InChIKey is NGURIRRXLYGCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-9-6-12-14(7-10(9)2)23-18(17(21)16(12)20)11-4-5-13(19)15(8-11)22-3/h4-8,19,21H,1-3H3.
What are the key properties of 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one?
3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one is sourced from PubChem (CID 56946608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).