5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one

C25H22O7 — CID 163021194

IUPAC5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3c([C@@H](C)c4ccc(O)cc4)c(O)cc(O)c3c(=O)c2OC)cc1
InChIInChI=1S/C25H22O7/c1-13(14-4-8-16(26)9-5-14)20-18(27)12-19(28)21-22(29)25(31-3)23(32-24(20)21)15-6-10-17(30-2)11-7-15/h4-13,26-28H,1-3H3/t13-/m0/s1
InChIKeyBGGFKBWQZUFYHZ-ZDUSSCGKSA-N
MW434.44 g/mol
LogP4.75
Rot. Bonds5

About 5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one

5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 163021194) has the molecular formula C25H22O7 and a molecular weight of 434.44 g/mol. Its IUPAC name is 5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
PubChem CID163021194
Molecular FormulaC25H22O7
Molecular Weight434.44 g/mol
Exact Mass434.14
IUPAC Name5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3c([C@@H](C)c4ccc(O)cc4)c(O)cc(O)c3c(=O)c2OC)cc1
InChIInChI=1S/C25H22O7/c1-13(14-4-8-16(26)9-5-14)20-18(27)12-19(28)21-22(29)25(31-3)23(32-24(20)21)15-6-10-17(30-2)11-7-15/h4-13,26-28H,1-3H3/t13-/m0/s1
InChIKeyBGGFKBWQZUFYHZ-ZDUSSCGKSA-N
XLogP4.75
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)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-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 14269668
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one
CID 171935468
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one
CID 146500533
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 52938939
7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
CID 24880410
2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide
CID 126595540
8-[[2,4-dihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]-6-methoxy-5-methylphenyl]methyl]-3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 102066681
[6-acetyloxy-3,7,8-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
CID 10742532
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one (CID 163021194) is 5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2oc3c([C@@H](C)c4ccc(O)cc4)c(O)cc(O)c3c(=O)c2OC)cc1.
What is the InChIKey of 5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is BGGFKBWQZUFYHZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C25H22O7/c1-13(14-4-8-16(26)9-5-14)20-18(27)12-19(28)21-22(29)25(31-3)23(32-24(20)21)15-6-10-17(30-2)11-7-15/h4-13,26-28H,1-3H3/t13-/m0/s1.
What are the key properties of 5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one?
5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 434.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 163021194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).