2-(2-nonan-3-ylphenyl)phenol

C21H28O — CID 66866452

IUPAC2-(2-nonan-3-ylphenyl)phenol
SMILESCCCCCCC(CC)c1ccccc1-c1ccccc1O
InChIInChI=1S/C21H28O/c1-3-5-6-7-12-17(4-2)18-13-8-9-14-19(18)20-15-10-11-16-21(20)22/h8-11,13-17,22H,3-7,12H2,1-2H3
InChIKeyGERJGHZOHILYJH-UHFFFAOYSA-N
MW296.45 g/mol
LogP6.52
Rot. Bonds8

About 2-(2-nonan-3-ylphenyl)phenol

2-(2-nonan-3-ylphenyl)phenol (PubChem CID 66866452) has the molecular formula C21H28O and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-(2-nonan-3-ylphenyl)phenol.

Molecular Properties

Compound Name2-(2-nonan-3-ylphenyl)phenol
PubChem CID66866452
Molecular FormulaC21H28O
Molecular Weight296.45 g/mol
Exact Mass296.21
IUPAC Name2-(2-nonan-3-ylphenyl)phenol
SMILESCCCCCCC(CC)c1ccccc1-c1ccccc1O
InChIInChI=1S/C21H28O/c1-3-5-6-7-12-17(4-2)18-13-8-9-14-19(18)20-15-10-11-16-21(20)22/h8-11,13-17,22H,3-7,12H2,1-2H3
InChIKeyGERJGHZOHILYJH-UHFFFAOYSA-N
XLogP6.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 56.52
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-(2-heptan-3-ylphenyl)phenol
CID 66865867
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
2-(2-hexan-3-ylphenyl)phenol
CID 66866315
2-pentadecan-6-ylphenol
CID 66865451
2-dodecyl-3-nonan-3-ylphenol
CID 174777287
1-decan-3-yl-2-methylbenzene
CID 152506171
formaldehyde;2-tridecan-5-ylphenol
CID 130205554
1-(bromomethyl)-2-decan-3-ylbenzene
CID 19808859
2-octadecan-3-ylbenzene-1,4-diol
CID 101149425
3-hexan-3-yl-2-nonylphenol
CID 174697937
2-decyl-3-hexan-3-ylphenol
CID 174709915

Frequently Asked Questions

What is the IUPAC name of 2-(2-nonan-3-ylphenyl)phenol?
The IUPAC name of 2-(2-nonan-3-ylphenyl)phenol (CID 66866452) is 2-(2-nonan-3-ylphenyl)phenol.
What is the SMILES notation for 2-(2-nonan-3-ylphenyl)phenol?
The canonical SMILES for 2-(2-nonan-3-ylphenyl)phenol is CCCCCCC(CC)c1ccccc1-c1ccccc1O.
What is the InChIKey of 2-(2-nonan-3-ylphenyl)phenol?
The InChIKey is GERJGHZOHILYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O/c1-3-5-6-7-12-17(4-2)18-13-8-9-14-19(18)20-15-10-11-16-21(20)22/h8-11,13-17,22H,3-7,12H2,1-2H3.
What are the key properties of 2-(2-nonan-3-ylphenyl)phenol?
2-(2-nonan-3-ylphenyl)phenol has a molecular weight of 296.45 g/mol, XLogP of 6.52, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nonan-3-ylphenyl)phenol is sourced from PubChem (CID 66866452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).