2-tetradecan-3-ylphenol

C20H34O — CID 66866793

IUPAC2-tetradecan-3-ylphenol
SMILESCCCCCCCCCCCC(CC)c1ccccc1O
InChIInChI=1S/C20H34O/c1-3-5-6-7-8-9-10-11-12-15-18(4-2)19-16-13-14-17-20(19)21/h13-14,16-18,21H,3-12,15H2,1-2H3
InChIKeyMSSBUUCZSIOUDB-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.81
Rot. Bonds12

About 2-tetradecan-3-ylphenol

2-tetradecan-3-ylphenol (PubChem CID 66866793) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-tetradecan-3-ylphenol.

Molecular Properties

Compound Name2-tetradecan-3-ylphenol
PubChem CID66866793
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name2-tetradecan-3-ylphenol
SMILESCCCCCCCCCCCC(CC)c1ccccc1O
InChIInChI=1S/C20H34O/c1-3-5-6-7-8-9-10-11-12-15-18(4-2)19-16-13-14-17-20(19)21/h13-14,16-18,21H,3-12,15H2,1-2H3
InChIKeyMSSBUUCZSIOUDB-UHFFFAOYSA-N
XLogP6.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.81
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-dodecan-3-ylphenol
CID 12820018
2-pentadecan-6-ylphenol
CID 66865451
2-(2-nonan-3-ylphenyl)phenol
CID 66866452
formaldehyde;2-tridecan-5-ylphenol
CID 130205554
2-dodecyl-3-nonan-3-ylphenol
CID 174777287
1-decan-3-yl-2-methylbenzene
CID 152506171
2-octadecan-3-ylbenzene-1,4-diol
CID 101149425
7-(2-hydroxyphenyl)octadecanoic acid
CID 101311355
2-(1-phenoxynonan-2-yl)phenol
CID 175286505
2-(2-heptan-3-ylphenyl)phenol
CID 66865867
2-(8-ethyloctadecan-9-yl)phenol
CID 66884057
2-(9-ethylnonadecan-10-yl)phenol
CID 66866219

Frequently Asked Questions

What is the IUPAC name of 2-tetradecan-3-ylphenol?
The IUPAC name of 2-tetradecan-3-ylphenol (CID 66866793) is 2-tetradecan-3-ylphenol.
What is the SMILES notation for 2-tetradecan-3-ylphenol?
The canonical SMILES for 2-tetradecan-3-ylphenol is CCCCCCCCCCCC(CC)c1ccccc1O.
What is the InChIKey of 2-tetradecan-3-ylphenol?
The InChIKey is MSSBUUCZSIOUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-3-5-6-7-8-9-10-11-12-15-18(4-2)19-16-13-14-17-20(19)21/h13-14,16-18,21H,3-12,15H2,1-2H3.
What are the key properties of 2-tetradecan-3-ylphenol?
2-tetradecan-3-ylphenol has a molecular weight of 290.49 g/mol, XLogP of 6.81, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecan-3-ylphenol is sourced from PubChem (CID 66866793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).