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

C37H36O2 — CID 57009241

IUPAC4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol
SMILESCCCCCC(c1ccc(C)cc1)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C37H36O2/c1-3-4-11-24-37(30-18-16-27(2)17-19-30,31-20-22-35(38)33(25-31)28-12-7-5-8-13-28)32-21-23-36(39)34(26-32)29-14-9-6-10-15-29/h5-10,12-23,25-26,38-39H,3-4,11,24H2,1-2H3
InChIKeyNYGVZQODMCCFIC-UHFFFAOYSA-N
MW512.69 g/mol
LogP9.65
Rot. Bonds9

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

4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol (PubChem CID 57009241) has the molecular formula C37H36O2 and a molecular weight of 512.69 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol
PubChem CID57009241
Molecular FormulaC37H36O2
Molecular Weight512.69 g/mol
Exact Mass512.27
IUPAC Name4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol
SMILESCCCCCC(c1ccc(C)cc1)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C37H36O2/c1-3-4-11-24-37(30-18-16-27(2)17-19-30,31-20-22-35(38)33(25-31)28-12-7-5-8-13-28)32-21-23-36(39)34(26-32)29-14-9-6-10-15-29/h5-10,12-23,25-26,38-39H,3-4,11,24H2,1-2H3
InChIKeyNYGVZQODMCCFIC-UHFFFAOYSA-N
XLogP9.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.69
LogP ≤ 59.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol
CID 23363495
4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol
CID 21277063
4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol
CID 23363497
4-[1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-1-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
CID 67934241
4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol
CID 174529240
4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol
CID 139775367
4-pentyl-2-phenylphenol
CID 154147556
4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol
CID 169187760
4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol
CID 21277070
4-(1,1-diphenyldecyl)phthalic acid
CID 151631540
4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol
CID 21277043
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-phenylphenol
CID 19824837

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol (CID 57009241) is 4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol is CCCCCC(c1ccc(C)cc1)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol?
The InChIKey is NYGVZQODMCCFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36O2/c1-3-4-11-24-37(30-18-16-27(2)17-19-30,31-20-22-35(38)33(25-31)28-12-7-5-8-13-28)32-21-23-36(39)34(26-32)29-14-9-6-10-15-29/h5-10,12-23,25-26,38-39H,3-4,11,24H2,1-2H3.
What are the key properties of 4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol?
4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol has a molecular weight of 512.69 g/mol, XLogP of 9.65, 9 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-(4-methylphenyl)hexyl]-2-phenylphenol is sourced from PubChem (CID 57009241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).