4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol

C32H32O6 — CID 162879563

IUPAC4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol
SMILESCOc1cc(CC(c2ccc(O)cc2)c2c(C=Cc3ccc(O)cc3)cc(OC)cc2OC)cc(OC)c1
InChIInChI=1S/C32H32O6/c1-35-27-15-22(16-28(19-27)36-2)17-30(23-9-13-26(34)14-10-23)32-24(18-29(37-3)20-31(32)38-4)8-5-21-6-11-25(33)12-7-21/h5-16,18-20,30,33-34H,17H2,1-4H3
InChIKeyDNXCPJROFURBDD-UHFFFAOYSA-N
MW512.60 g/mol
LogP6.68
Rot. Bonds10

About 4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol

4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol (PubChem CID 162879563) has the molecular formula C32H32O6 and a molecular weight of 512.60 g/mol. Its IUPAC name is 4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol
PubChem CID162879563
Molecular FormulaC32H32O6
Molecular Weight512.60 g/mol
Exact Mass512.22
IUPAC Name4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol
SMILESCOc1cc(CC(c2ccc(O)cc2)c2c(C=Cc3ccc(O)cc3)cc(OC)cc2OC)cc(OC)c1
InChIInChI=1S/C32H32O6/c1-35-27-15-22(16-28(19-27)36-2)17-30(23-9-13-26(34)14-10-23)32-24(18-29(37-3)20-31(32)38-4)8-5-21-6-11-25(33)12-7-21/h5-16,18-20,30,33-34H,17H2,1-4H3
InChIKeyDNXCPJROFURBDD-UHFFFAOYSA-N
XLogP6.68
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.60
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol?
The IUPAC name of 4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol (CID 162879563) is 4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol.
What is the SMILES notation for 4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol?
The canonical SMILES for 4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol is COc1cc(CC(c2ccc(O)cc2)c2c(C=Cc3ccc(O)cc3)cc(OC)cc2OC)cc(OC)c1.
What is the InChIKey of 4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol?
The InChIKey is DNXCPJROFURBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O6/c1-35-27-15-22(16-28(19-27)36-2)17-30(23-9-13-26(34)14-10-23)32-24(18-29(37-3)20-31(32)38-4)8-5-21-6-11-25(33)12-7-21/h5-16,18-20,30,33-34H,17H2,1-4H3.
What are the key properties of 4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol?
4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol has a molecular weight of 512.60 g/mol, XLogP of 6.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol is sourced from PubChem (CID 162879563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).