2-(1-phenylnonyl)phenol

C21H28O — CID 67177643

IUPAC2-(1-phenylnonyl)phenol
SMILESCCCCCCCCC(c1ccccc1)c1ccccc1O
InChIInChI=1S/C21H28O/c1-2-3-4-5-6-10-15-19(18-13-8-7-9-14-18)20-16-11-12-17-21(20)22/h7-9,11-14,16-17,19,22H,2-6,10,15H2,1H3
InChIKeyPONXCWMFULIXIZ-UHFFFAOYSA-N
MW296.45 g/mol
LogP6.27
Rot. Bonds9

About 2-(1-phenylnonyl)phenol

2-(1-phenylnonyl)phenol (PubChem CID 67177643) has the molecular formula C21H28O and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-(1-phenylnonyl)phenol.

Molecular Properties

Compound Name2-(1-phenylnonyl)phenol
PubChem CID67177643
Molecular FormulaC21H28O
Molecular Weight296.45 g/mol
Exact Mass296.21
IUPAC Name2-(1-phenylnonyl)phenol
SMILESCCCCCCCCC(c1ccccc1)c1ccccc1O
InChIInChI=1S/C21H28O/c1-2-3-4-5-6-10-15-19(18-13-8-7-9-14-18)20-16-11-12-17-21(20)22/h7-9,11-14,16-17,19,22H,2-6,10,15H2,1H3
InChIKeyPONXCWMFULIXIZ-UHFFFAOYSA-N
XLogP6.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 56.27
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-(1-phenylpentyl)phenol
CID 19601156
2-[1,13,13-tris(2-hydroxyphenyl)tridecyl]phenol
CID 19886957
2-pentadecan-6-ylphenol
CID 66865451
4-hydroxy-3-(1-phenylhexyl)benzoic acid
CID 123966093
2-dodecan-3-ylphenol
CID 12820018
2-tetradecan-3-ylphenol
CID 66866793
carbonic acid;methyl 2-(1-phenylhexadecyl)benzoate
CID 174362485
2-(9-heptylhenicosan-10-yl)phenol
CID 66867451
2-(2-methyltetradecan-3-yl)phenol
CID 66867142
2-(10-octyldocosan-11-yl)phenol
CID 66866246
(1R)-1-phenyloctan-1-ol
CID 12794259
2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol
CID 19870927

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylnonyl)phenol?
The IUPAC name of 2-(1-phenylnonyl)phenol (CID 67177643) is 2-(1-phenylnonyl)phenol.
What is the SMILES notation for 2-(1-phenylnonyl)phenol?
The canonical SMILES for 2-(1-phenylnonyl)phenol is CCCCCCCCC(c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-(1-phenylnonyl)phenol?
The InChIKey is PONXCWMFULIXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O/c1-2-3-4-5-6-10-15-19(18-13-8-7-9-14-18)20-16-11-12-17-21(20)22/h7-9,11-14,16-17,19,22H,2-6,10,15H2,1H3.
What are the key properties of 2-(1-phenylnonyl)phenol?
2-(1-phenylnonyl)phenol has a molecular weight of 296.45 g/mol, XLogP of 6.27, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylnonyl)phenol is sourced from PubChem (CID 67177643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).