5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol

C30H30O4 — CID 172870666

IUPAC5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol
SMILESCOc1cccc(CCc2ccc(-c3ccc(CCc4cccc(OC)c4)c(O)c3)cc2O)c1
InChIInChI=1S/C30H30O4/c1-33-27-7-3-5-21(17-27)9-11-23-13-15-25(19-29(23)31)26-16-14-24(30(32)20-26)12-10-22-6-4-8-28(18-22)34-2/h3-8,13-20,31-32H,9-12H2,1-2H3
InChIKeyPVVUHNJRMNPZME-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.35
Rot. Bonds9

About 5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol

5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol (PubChem CID 172870666) has the molecular formula C30H30O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is 5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol
PubChem CID172870666
Molecular FormulaC30H30O4
Molecular Weight454.57 g/mol
Exact Mass454.21
IUPAC Name5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol
SMILESCOc1cccc(CCc2ccc(-c3ccc(CCc4cccc(OC)c4)c(O)c3)cc2O)c1
InChIInChI=1S/C30H30O4/c1-33-27-7-3-5-21(17-27)9-11-23-13-15-25(19-29(23)31)26-16-14-24(30(32)20-26)12-10-22-6-4-8-28(18-22)34-2/h3-8,13-20,31-32H,9-12H2,1-2H3
InChIKeyPVVUHNJRMNPZME-UHFFFAOYSA-N
XLogP6.35
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol with MolForge

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Related Compounds

4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856
3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol
CID 175822516
2-[10-(3-methoxyphenyl)decyl]phenol
CID 134285067
4-methoxy-2-[2-(3-methoxyphenyl)ethyl]-1-methylbenzene
CID 13300063
1-methoxy-3-propylbenzene
CID 14270128
5-fluoro-2-hydroxybenzaldehyde;4-fluoro-2-[2-(3-methoxyphenyl)ethyl]phenol
CID 158804701
1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
CID 172870468
3-[2-[4-hydroxy-3-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene-1,2-diol
CID 163036372
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
5-(3-methoxyphenyl)-2-methylphenol
CID 53218836
4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol
CID 172871341
(3-methoxyphenyl)(113C)methanol
CID 11593446

Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol?
The IUPAC name of 5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol (CID 172870666) is 5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol.
What is the SMILES notation for 5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol?
The canonical SMILES for 5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol is COc1cccc(CCc2ccc(-c3ccc(CCc4cccc(OC)c4)c(O)c3)cc2O)c1.
What is the InChIKey of 5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol?
The InChIKey is PVVUHNJRMNPZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O4/c1-33-27-7-3-5-21(17-27)9-11-23-13-15-25(19-29(23)31)26-16-14-24(30(32)20-26)12-10-22-6-4-8-28(18-22)34-2/h3-8,13-20,31-32H,9-12H2,1-2H3.
What are the key properties of 5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol?
5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol has a molecular weight of 454.57 g/mol, XLogP of 6.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol is sourced from PubChem (CID 172870666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).