1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one

C33H32O10 — CID 170221756

IUPAC1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
SMILESCOc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(Oc2c(OC)cc(O)c(C(=O)CCc3ccc(O)cc3)c2OC)c1
InChIInChI=1S/C33H32O10/c1-40-23-16-26(38)30(24(36)14-8-19-4-10-21(34)11-5-19)28(17-23)43-32-29(41-2)18-27(39)31(33(32)42-3)25(37)15-9-20-6-12-22(35)13-7-20/h4-7,10-13,16-18,34-35,38-39H,8-9,14-15H2,1-3H3
InChIKeyWMSIUNUKSFMIMR-UHFFFAOYSA-N
MW588.61 g/mol
LogP5.96
Rot. Bonds13

About 1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one

1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one (PubChem CID 170221756) has the molecular formula C33H32O10 and a molecular weight of 588.61 g/mol. Its IUPAC name is 1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
PubChem CID170221756
Molecular FormulaC33H32O10
Molecular Weight588.61 g/mol
Exact Mass588.20
IUPAC Name1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
SMILESCOc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(Oc2c(OC)cc(O)c(C(=O)CCc3ccc(O)cc3)c2OC)c1
InChIInChI=1S/C33H32O10/c1-40-23-16-26(38)30(24(36)14-8-19-4-10-21(34)11-5-19)28(17-23)43-32-29(41-2)18-27(39)31(33(32)42-3)25(37)15-9-20-6-12-22(35)13-7-20/h4-7,10-13,16-18,34-35,38-39H,8-9,14-15H2,1-3H3
InChIKeyWMSIUNUKSFMIMR-UHFFFAOYSA-N
XLogP5.96
TPSA151.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.61
LogP ≤ 55.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-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

1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
CID 118898649
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
CID 10955251
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
CID 90718650
(2S,3S,5R,6R)-3,5-dihydroxy-2-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-6-(hydroxymethyl)oxan-4-one
CID 11247865
2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
CID 1268029
1-(6-hydroxy-2,3,4-trimethoxyphenyl)octan-1-one
CID 14873632
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
CID 102233436
5-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-3-methoxy-6-(3-methylbut-2-enyl)phenolate
CID 25202647
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one
CID 161090757
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one
CID 14826836
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol
CID 174620006

Frequently Asked Questions

What is the IUPAC name of 1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of 1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one (CID 170221756) is 1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for 1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one is COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(Oc2c(OC)cc(O)c(C(=O)CCc3ccc(O)cc3)c2OC)c1.
What is the InChIKey of 1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one?
The InChIKey is WMSIUNUKSFMIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O10/c1-40-23-16-26(38)30(24(36)14-8-19-4-10-21(34)11-5-19)28(17-23)43-32-29(41-2)18-27(39)31(33(32)42-3)25(37)15-9-20-6-12-22(35)13-7-20/h4-7,10-13,16-18,34-35,38-39H,8-9,14-15H2,1-3H3.
What are the key properties of 1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one?
1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one has a molecular weight of 588.61 g/mol, XLogP of 5.96, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 170221756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).