2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol

C32H32O6 — CID 74080754

IUPAC2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol
SMILESCOc1ccc(C(CCc2ccc(O)cc2OC)c2c(O)cc(OC)cc2C=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C32H32O6/c1-36-27-15-9-22(10-16-27)29(17-11-23-8-14-26(34)19-31(23)38-3)32-24(18-28(37-2)20-30(32)35)7-4-21-5-12-25(33)13-6-21/h4-10,12-16,18-20,29,33-35H,11,17H2,1-3H3
InChIKeyXZVDYCHPJWUZFS-UHFFFAOYSA-N
MW512.60 g/mol
LogP6.76
Rot. Bonds10

About 2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol

2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol (PubChem CID 74080754) has the molecular formula C32H32O6 and a molecular weight of 512.60 g/mol. Its IUPAC name is 2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol
PubChem CID74080754
Molecular FormulaC32H32O6
Molecular Weight512.60 g/mol
Exact Mass512.22
IUPAC Name2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol
SMILESCOc1ccc(C(CCc2ccc(O)cc2OC)c2c(O)cc(OC)cc2C=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C32H32O6/c1-36-27-15-9-22(10-16-27)29(17-11-23-8-14-26(34)19-31(23)38-3)32-24(18-28(37-2)20-30(32)35)7-4-21-5-12-25(33)13-6-21/h4-10,12-16,18-20,29,33-35H,11,17H2,1-3H3
InChIKeyXZVDYCHPJWUZFS-UHFFFAOYSA-N
XLogP6.76
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.60
LogP ≤ 56.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol 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-[(3S)-3-[4-[2-(4-hydroxyphenyl)ethenyl]-2,6-dimethoxyphenyl]-3-(4-methoxyphenyl)propyl]-3-methoxyphenol
CID 162913629
4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol
CID 162879563
[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-(3,5-dimethoxyphenyl)methanol
CID 90702066
4-[2-[4-[1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol
CID 123762733
5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one
CID 54261202
4-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methoxy]-4-oxobutanoic acid
CID 175058461
3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol
CID 16746303
2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol
CID 25139966
2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol
CID 73316036
2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 68729529
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol?
The IUPAC name of 2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol (CID 74080754) is 2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol.
What is the SMILES notation for 2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol?
The canonical SMILES for 2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol is COc1ccc(C(CCc2ccc(O)cc2OC)c2c(O)cc(OC)cc2C=Cc2ccc(O)cc2)cc1.
What is the InChIKey of 2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol?
The InChIKey is XZVDYCHPJWUZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O6/c1-36-27-15-9-22(10-16-27)29(17-11-23-8-14-26(34)19-31(23)38-3)32-24(18-28(37-2)20-30(32)35)7-4-21-5-12-25(33)13-6-21/h4-10,12-16,18-20,29,33-35H,11,17H2,1-3H3.
What are the key properties of 2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol?
2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol has a molecular weight of 512.60 g/mol, XLogP of 6.76, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol is sourced from PubChem (CID 74080754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).