4-(5,5-diphenylpentyl)phenol

C23H24O — CID 66865945

IUPAC4-(5,5-diphenylpentyl)phenol
SMILESOc1ccc(CCCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24O/c24-22-17-15-19(16-18-22)9-7-8-14-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-6,10-13,15-18,23-24H,7-9,14H2
InChIKeyCNHQNGFPYLXWAW-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.94
Rot. Bonds7

About 4-(5,5-diphenylpentyl)phenol

4-(5,5-diphenylpentyl)phenol (PubChem CID 66865945) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-(5,5-diphenylpentyl)phenol.

Molecular Properties

Compound Name4-(5,5-diphenylpentyl)phenol
PubChem CID66865945
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name4-(5,5-diphenylpentyl)phenol
SMILESOc1ccc(CCCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24O/c24-22-17-15-19(16-18-22)9-7-8-14-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-6,10-13,15-18,23-24H,7-9,14H2
InChIKeyCNHQNGFPYLXWAW-UHFFFAOYSA-N
XLogP5.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4,4-bis(4-hydroxyphenyl)butyl]phenol
CID 56999686
4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
CID 13030783
4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol
CID 57252582
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-(4-methylpentyl)phenol;phenol
CID 174866001
2-(8,8-diphenyloctyl)phenol
CID 66867292
2-(7,7-diphenylheptyl)phenol
CID 66866981
4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol
CID 66866176
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
4-[4-(3,4-dihydroxyphenyl)-4-phenylbutyl]benzene-1,2-diol
CID 57182944
1-(5-methyl-1-phenylhexyl)-4-pentylbenzene
CID 123286485

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-diphenylpentyl)phenol?
The IUPAC name of 4-(5,5-diphenylpentyl)phenol (CID 66865945) is 4-(5,5-diphenylpentyl)phenol.
What is the SMILES notation for 4-(5,5-diphenylpentyl)phenol?
The canonical SMILES for 4-(5,5-diphenylpentyl)phenol is Oc1ccc(CCCCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(5,5-diphenylpentyl)phenol?
The InChIKey is CNHQNGFPYLXWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c24-22-17-15-19(16-18-22)9-7-8-14-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-6,10-13,15-18,23-24H,7-9,14H2.
What are the key properties of 4-(5,5-diphenylpentyl)phenol?
4-(5,5-diphenylpentyl)phenol has a molecular weight of 316.44 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-diphenylpentyl)phenol is sourced from PubChem (CID 66865945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).