6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one

C31H24O9 — CID 75069473

IUPAC6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1ccc(C2CC(=O)c3c(cc(O)c(-c4c(O)cc(O)c5c4OC(c4ccc(O)cc4)CC5=O)c3O)O2)cc1
InChIInChI=1S/C31H24O9/c1-14-2-4-15(5-3-14)23-12-21(36)27-25(39-23)13-22(37)28(30(27)38)29-19(34)10-18(33)26-20(35)11-24(40-31(26)29)16-6-8-17(32)9-7-16/h2-10,13,23-24,32-34,37-38H,11-12H2,1H3
InChIKeyCBGKJSZVQOWLBY-UHFFFAOYSA-N
MW540.52 g/mol
LogP5.60
Rot. Bonds3

About 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one

6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one (PubChem CID 75069473) has the molecular formula C31H24O9 and a molecular weight of 540.52 g/mol. Its IUPAC name is 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
PubChem CID75069473
Molecular FormulaC31H24O9
Molecular Weight540.52 g/mol
Exact Mass540.14
IUPAC Name6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1ccc(C2CC(=O)c3c(cc(O)c(-c4c(O)cc(O)c5c4OC(c4ccc(O)cc4)CC5=O)c3O)O2)cc1
InChIInChI=1S/C31H24O9/c1-14-2-4-15(5-3-14)23-12-21(36)27-25(39-23)13-22(37)28(30(27)38)29-19(34)10-18(33)26-20(35)11-24(40-31(26)29)16-6-8-17(32)9-7-16/h2-10,13,23-24,32-34,37-38H,11-12H2,1H3
InChIKeyCBGKJSZVQOWLBY-UHFFFAOYSA-N
XLogP5.60
TPSA153.75 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.52
LogP ≤ 55.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-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

(2S)-6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 101143545
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
7-ethyl-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 143737118
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbutyl)-2,3-dihydrochromen-4-one
CID 142550277
(2S)-8-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 25212229
(2S)-6-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 25212227
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
CID 5316782
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one
CID 134863979
7-(2,3-dimethylbut-3-en-2-yloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
CID 126659209
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;bis(5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one);bis(5-hydroxy-2-(4-hydroxyphenyl)-7-methyl-2,3-dihydrochromen-4-one)
CID 161273005
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 40577064

Frequently Asked Questions

What is the IUPAC name of 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one (CID 75069473) is 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one is Cc1ccc(C2CC(=O)c3c(cc(O)c(-c4c(O)cc(O)c5c4OC(c4ccc(O)cc4)CC5=O)c3O)O2)cc1.
What is the InChIKey of 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is CBGKJSZVQOWLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O9/c1-14-2-4-15(5-3-14)23-12-21(36)27-25(39-23)13-22(37)28(30(27)38)29-19(34)10-18(33)26-20(35)11-24(40-31(26)29)16-6-8-17(32)9-7-16/h2-10,13,23-24,32-34,37-38H,11-12H2,1H3.
What are the key properties of 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 540.52 g/mol, XLogP of 5.60, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methylphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 75069473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).