2-(8,8-diphenyloctyl)phenol

C26H30O — CID 66867292

IUPAC2-(8,8-diphenyloctyl)phenol
SMILESOc1ccccc1CCCCCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30O/c27-26-21-13-12-19-24(26)18-6-2-1-3-11-20-25(22-14-7-4-8-15-22)23-16-9-5-10-17-23/h4-5,7-10,12-17,19,21,25,27H,1-3,6,11,18,20H2
InChIKeyFLHRLWINABTUHD-UHFFFAOYSA-N
MW358.53 g/mol
LogP7.11
Rot. Bonds10

About 2-(8,8-diphenyloctyl)phenol

2-(8,8-diphenyloctyl)phenol (PubChem CID 66867292) has the molecular formula C26H30O and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-(8,8-diphenyloctyl)phenol.

Molecular Properties

Compound Name2-(8,8-diphenyloctyl)phenol
PubChem CID66867292
Molecular FormulaC26H30O
Molecular Weight358.53 g/mol
Exact Mass358.23
IUPAC Name2-(8,8-diphenyloctyl)phenol
SMILESOc1ccccc1CCCCCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30O/c27-26-21-13-12-19-24(26)18-6-2-1-3-11-20-25(22-14-7-4-8-15-22)23-16-9-5-10-17-23/h4-5,7-10,12-17,19,21,25,27H,1-3,6,11,18,20H2
InChIKeyFLHRLWINABTUHD-UHFFFAOYSA-N
XLogP7.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 57.11
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-(7,7-diphenylheptyl)phenol
CID 66866981
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-(8,8-diphenyloctyl)phenol?
The IUPAC name of 2-(8,8-diphenyloctyl)phenol (CID 66867292) is 2-(8,8-diphenyloctyl)phenol.
What is the SMILES notation for 2-(8,8-diphenyloctyl)phenol?
The canonical SMILES for 2-(8,8-diphenyloctyl)phenol is Oc1ccccc1CCCCCCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(8,8-diphenyloctyl)phenol?
The InChIKey is FLHRLWINABTUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O/c27-26-21-13-12-19-24(26)18-6-2-1-3-11-20-25(22-14-7-4-8-15-22)23-16-9-5-10-17-23/h4-5,7-10,12-17,19,21,25,27H,1-3,6,11,18,20H2.
What are the key properties of 2-(8,8-diphenyloctyl)phenol?
2-(8,8-diphenyloctyl)phenol has a molecular weight of 358.53 g/mol, XLogP of 7.11, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8-diphenyloctyl)phenol is sourced from PubChem (CID 66867292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).