2-(7,7-diphenylheptyl)phenol

C25H28O — CID 66866981

IUPAC2-(7,7-diphenylheptyl)phenol
SMILESOc1ccccc1CCCCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O/c26-25-20-12-11-18-23(25)17-5-1-2-10-19-24(21-13-6-3-7-14-21)22-15-8-4-9-16-22/h3-4,6-9,11-16,18,20,24,26H,1-2,5,10,17,19H2
InChIKeyAOSCJHWXRNBBSV-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.72
Rot. Bonds9

About 2-(7,7-diphenylheptyl)phenol

2-(7,7-diphenylheptyl)phenol (PubChem CID 66866981) has the molecular formula C25H28O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(7,7-diphenylheptyl)phenol.

Molecular Properties

Compound Name2-(7,7-diphenylheptyl)phenol
PubChem CID66866981
Molecular FormulaC25H28O
Molecular Weight344.50 g/mol
Exact Mass344.21
IUPAC Name2-(7,7-diphenylheptyl)phenol
SMILESOc1ccccc1CCCCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O/c26-25-20-12-11-18-23(25)17-5-1-2-10-19-24(21-13-6-3-7-14-21)22-15-8-4-9-16-22/h3-4,6-9,11-16,18,20,24,26H,1-2,5,10,17,19H2
InChIKeyAOSCJHWXRNBBSV-UHFFFAOYSA-N
XLogP6.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.72
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

2-(8,8-diphenyloctyl)phenol
CID 66867292
2-(12-phenyldodecyl)phenol
CID 70505621
2-(9,9-diphenoxynonyl)phenol
CID 66866947
4-(5,5-diphenylpentyl)phenol
CID 66865945
12,12-diphenyldodecyl(trihydroxy)phosphanium
CID 66694525
2-dodecylphenol
CID 160834917
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
4-[1-(4-hydroxy-3-nonylphenyl)nonyl]-2-nonylphenol
CID 135345643
CID 69025009
CID 69025009
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
2-(7-phenoxyheptyl)phenol
CID 141346388

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-diphenylheptyl)phenol?
The IUPAC name of 2-(7,7-diphenylheptyl)phenol (CID 66866981) is 2-(7,7-diphenylheptyl)phenol.
What is the SMILES notation for 2-(7,7-diphenylheptyl)phenol?
The canonical SMILES for 2-(7,7-diphenylheptyl)phenol is Oc1ccccc1CCCCCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(7,7-diphenylheptyl)phenol?
The InChIKey is AOSCJHWXRNBBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O/c26-25-20-12-11-18-23(25)17-5-1-2-10-19-24(21-13-6-3-7-14-21)22-15-8-4-9-16-22/h3-4,6-9,11-16,18,20,24,26H,1-2,5,10,17,19H2.
What are the key properties of 2-(7,7-diphenylheptyl)phenol?
2-(7,7-diphenylheptyl)phenol has a molecular weight of 344.50 g/mol, XLogP of 6.72, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-diphenylheptyl)phenol is sourced from PubChem (CID 66866981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).