3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one

C18H16O8 — CID 155537028

IUPAC3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
SMILESCOc1ccc(-c2oc3c(O)c(OC)c(OC)cc3c(=O)c2O)cc1O
InChIInChI=1S/C18H16O8/c1-23-11-5-4-8(6-10(11)19)16-14(21)13(20)9-7-12(24-2)18(25-3)15(22)17(9)26-16/h4-7,19,21-22H,1-3H3
InChIKeyBQDJOJBRQSNCGN-UHFFFAOYSA-N
MW360.32 g/mol
LogP2.60
Rot. Bonds4

About 3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one

3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one (PubChem CID 155537028) has the molecular formula C18H16O8 and a molecular weight of 360.32 g/mol. Its IUPAC name is 3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
PubChem CID155537028
Molecular FormulaC18H16O8
Molecular Weight360.32 g/mol
Exact Mass360.08
IUPAC Name3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
SMILESCOc1ccc(-c2oc3c(O)c(OC)c(OC)cc3c(=O)c2O)cc1O
InChIInChI=1S/C18H16O8/c1-23-11-5-4-8(6-10(11)19)16-14(21)13(20)9-7-12(24-2)18(25-3)15(22)17(9)26-16/h4-7,19,21-22H,1-3H3
InChIKeyBQDJOJBRQSNCGN-UHFFFAOYSA-N
XLogP2.60
TPSA118.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-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-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 5317287
2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one
CID 18372853
3,5,7,8-tetrahydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 90744052
3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one
CID 118735528
8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
CID 46211779
[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4-oxochromen-3-yl] hydrogen sulfate
CID 14630675
3,5,6,7,8-pentahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 178063472
2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxy-3-methylchromen-4-one
CID 14873686
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-8-methylchromen-4-one
CID 46913430
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58667503
3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 15907673

Frequently Asked Questions

What is the IUPAC name of 3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one?
The IUPAC name of 3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one (CID 155537028) is 3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one.
What is the SMILES notation for 3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one?
The canonical SMILES for 3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one is COc1ccc(-c2oc3c(O)c(OC)c(OC)cc3c(=O)c2O)cc1O.
What is the InChIKey of 3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one?
The InChIKey is BQDJOJBRQSNCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O8/c1-23-11-5-4-8(6-10(11)19)16-14(21)13(20)9-7-12(24-2)18(25-3)15(22)17(9)26-16/h4-7,19,21-22H,1-3H3.
What are the key properties of 3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one?
3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one has a molecular weight of 360.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one is sourced from PubChem (CID 155537028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).