7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one

C32H26O8 — CID 163067771

IUPAC7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one
SMILESCOc1ccc(C(c2ccc(O)cc2)C(C(=O)c2ccc(OC)cc2O)c2coc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C32H26O8/c1-38-22-10-5-19(6-11-22)29(18-3-7-20(33)8-4-18)30(32(37)24-14-12-23(39-2)16-27(24)35)26-17-40-28-15-21(34)9-13-25(28)31(26)36/h3-17,29-30,33-35H,1-2H3
InChIKeyBDWPTFULLOHIBX-UHFFFAOYSA-N
MW538.55 g/mol
LogP5.73
Rot. Bonds8

About 7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one

7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one (PubChem CID 163067771) has the molecular formula C32H26O8 and a molecular weight of 538.55 g/mol. Its IUPAC name is 7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one
PubChem CID163067771
Molecular FormulaC32H26O8
Molecular Weight538.55 g/mol
Exact Mass538.16
IUPAC Name7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one
SMILESCOc1ccc(C(c2ccc(O)cc2)C(C(=O)c2ccc(OC)cc2O)c2coc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C32H26O8/c1-38-22-10-5-19(6-11-22)29(18-3-7-20(33)8-4-18)30(32(37)24-14-12-23(39-2)16-27(24)35)26-17-40-28-15-21(34)9-13-25(28)31(26)36/h3-17,29-30,33-35H,1-2H3
InChIKeyBDWPTFULLOHIBX-UHFFFAOYSA-N
XLogP5.73
TPSA126.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.55
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]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

[4-[2-(5-formyl-7-formyloxy-4-oxochromen-3-yl)-1-(4-formyloxyphenyl)-3-(2-hydroxy-4-methoxyphenyl)-3-oxopropyl]phenyl] formate
CID 163017943
(2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
CID 821427
3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one
CID 69367923
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
5-hydroxy-6-[2-(4-methoxyphenyl)propanoyl]-1,3-benzodioxol-2-one
CID 21027953
methyl 2-(6-methoxy-1-benzofuran-3-yl)-3-oxobutanoate
CID 23151510
3-acetyl-7-(4-methoxyphenoxy)chromen-4-one
CID 139885668
3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
CID 102347784
1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone
CID 91509834
7-hydroxy-3-methylchromen-4-one
CID 13419593
7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one
CID 11024901
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one?
The IUPAC name of 7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one (CID 163067771) is 7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one?
The canonical SMILES for 7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one is COc1ccc(C(c2ccc(O)cc2)C(C(=O)c2ccc(OC)cc2O)c2coc3cc(O)ccc3c2=O)cc1.
What is the InChIKey of 7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one?
The InChIKey is BDWPTFULLOHIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O8/c1-38-22-10-5-19(6-11-22)29(18-3-7-20(33)8-4-18)30(32(37)24-14-12-23(39-2)16-27(24)35)26-17-40-28-15-21(34)9-13-25(28)31(26)36/h3-17,29-30,33-35H,1-2H3.
What are the key properties of 7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one?
7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one has a molecular weight of 538.55 g/mol, XLogP of 5.73, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one is sourced from PubChem (CID 163067771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).