4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol

C44H42O2 — CID 139825043

IUPAC4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol
SMILESCCCCCCCC(c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C44H42O2/c1-2-3-4-5-18-27-38(36-28-39(32-19-10-6-11-20-32)43(45)40(29-36)33-21-12-7-13-22-33)37-30-41(34-23-14-8-15-24-34)44(46)42(31-37)35-25-16-9-17-26-35/h6-17,19-26,28-31,38,45-46H,2-5,18,27H2,1H3
InChIKeyIOPKJQWDWWXRRR-UHFFFAOYSA-N
MW602.82 g/mol
LogP12.26
Rot. Bonds12

About 4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol

4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol (PubChem CID 139825043) has the molecular formula C44H42O2 and a molecular weight of 602.82 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol
PubChem CID139825043
Molecular FormulaC44H42O2
Molecular Weight602.82 g/mol
Exact Mass602.32
IUPAC Name4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol
SMILESCCCCCCCC(c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C44H42O2/c1-2-3-4-5-18-27-38(36-28-39(32-19-10-6-11-20-32)43(45)40(29-36)33-21-12-7-13-22-33)37-30-41(34-23-14-8-15-24-34)44(46)42(31-37)35-25-16-9-17-26-35/h6-17,19-26,28-31,38,45-46H,2-5,18,27H2,1H3
InChIKeyIOPKJQWDWWXRRR-UHFFFAOYSA-N
XLogP12.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.82
LogP ≤ 512.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
CID 135345606
4-butylsulfanyl-2,6-diphenylphenol
CID 66619517
2,6-diphenyl-4-propan-2-ylphenol
CID 155045328
2-methyl-4-nonyl-6-phenylphenol
CID 174342860
4-(dibutylamino)-2,6-diphenylphenol
CID 22095865
(4-hydroxy-3,5-diphenylphenyl) octanoate
CID 151179721
2-(1-phenylnonyl)phenol
CID 67177643
1,1'-biphenyl;hexadecane
CID 173308514
(1R)-1-phenyloctan-1-ol
CID 12794259
4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
CID 23336050
1,1'-biphenyl;2-methyloctanoate
CID 22157313
4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol
CID 22321255

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol (CID 139825043) is 4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol is CCCCCCCC(c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol?
The InChIKey is IOPKJQWDWWXRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42O2/c1-2-3-4-5-18-27-38(36-28-39(32-19-10-6-11-20-32)43(45)40(29-36)33-21-12-7-13-22-33)37-30-41(34-23-14-8-15-24-34)44(46)42(31-37)35-25-16-9-17-26-35/h6-17,19-26,28-31,38,45-46H,2-5,18,27H2,1H3.
What are the key properties of 4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol?
4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol has a molecular weight of 602.82 g/mol, XLogP of 12.26, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol is sourced from PubChem (CID 139825043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).