4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol

C34H30O2 — CID 23363495

IUPAC4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol
SMILESCCCC(c1ccccc1)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C34H30O2/c1-2-22-34(27-16-10-5-11-17-27,28-18-20-32(35)30(23-28)25-12-6-3-7-13-25)29-19-21-33(36)31(24-29)26-14-8-4-9-15-26/h3-21,23-24,35-36H,2,22H2,1H3
InChIKeyBYZZBONUUYZWRH-UHFFFAOYSA-N
MW470.61 g/mol
LogP8.57
Rot. Bonds7

About 4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol

4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol (PubChem CID 23363495) has the molecular formula C34H30O2 and a molecular weight of 470.61 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol
PubChem CID23363495
Molecular FormulaC34H30O2
Molecular Weight470.61 g/mol
Exact Mass470.22
IUPAC Name4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol
SMILESCCCC(c1ccccc1)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C34H30O2/c1-2-22-34(27-16-10-5-11-17-27,28-18-20-32(35)30(23-28)25-12-6-3-7-13-25)29-19-21-33(36)31(24-29)26-14-8-4-9-15-26/h3-21,23-24,35-36H,2,22H2,1H3
InChIKeyBYZZBONUUYZWRH-UHFFFAOYSA-N
XLogP8.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 58.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

CID 6623
CID 6623
CID 72300
CID 72300
CID 192197
CID 192197
CID 7311
CID 7311
CID 66166
CID 66166
CID 11742
CID 11742
CID 72303
CID 72303
CID 6928
CID 6928
CID 8398
CID 8398
CID 21387
CID 21387
CID 6620
CID 6620
CID 17004
CID 17004

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol (CID 23363495) is 4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol is CCCC(c1ccccc1)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol?
The InChIKey is BYZZBONUUYZWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O2/c1-2-22-34(27-16-10-5-11-17-27,28-18-20-32(35)30(23-28)25-12-6-3-7-13-25)29-19-21-33(36)31(24-29)26-14-8-4-9-15-26/h3-21,23-24,35-36H,2,22H2,1H3.
What are the key properties of 4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol?
4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol has a molecular weight of 470.61 g/mol, XLogP of 8.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol is sourced from PubChem (CID 23363495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).