2-pentadecan-6-ylphenol

C21H36O — CID 66865451

IUPAC2-pentadecan-6-ylphenol
SMILESCCCCCCCCCC(CCCCC)c1ccccc1O
InChIInChI=1S/C21H36O/c1-3-5-7-8-9-10-12-16-19(15-11-6-4-2)20-17-13-14-18-21(20)22/h13-14,17-19,22H,3-12,15-16H2,1-2H3
InChIKeyXHDVSVOGIVXODW-UHFFFAOYSA-N
MW304.52 g/mol
LogP7.20
Rot. Bonds13

About 2-pentadecan-6-ylphenol

2-pentadecan-6-ylphenol (PubChem CID 66865451) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is 2-pentadecan-6-ylphenol.

Molecular Properties

Compound Name2-pentadecan-6-ylphenol
PubChem CID66865451
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Name2-pentadecan-6-ylphenol
SMILESCCCCCCCCCC(CCCCC)c1ccccc1O
InChIInChI=1S/C21H36O/c1-3-5-7-8-9-10-12-16-19(15-11-6-4-2)20-17-13-14-18-21(20)22/h13-14,17-19,22H,3-12,15-16H2,1-2H3
InChIKeyXHDVSVOGIVXODW-UHFFFAOYSA-N
XLogP7.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 57.20
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

formaldehyde;2-tridecan-5-ylphenol
CID 130205554
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
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7-(2-hydroxyphenyl)octadecanoic acid
CID 101311355
2-(1-phenoxynonan-2-yl)phenol
CID 175286505
2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol
CID 66866746
2-(2-methyltetradecan-3-yl)phenol
CID 66867142
2-(1-phenylnonyl)phenol
CID 67177643
2-(9-heptylhenicosan-10-yl)phenol
CID 66867451
2-(10-octyldocosan-11-yl)phenol
CID 66866246
2-(2-nonan-3-ylphenyl)phenol
CID 66866452
2-icosan-9-ylaniline
CID 22408958

Frequently Asked Questions

What is the IUPAC name of 2-pentadecan-6-ylphenol?
The IUPAC name of 2-pentadecan-6-ylphenol (CID 66865451) is 2-pentadecan-6-ylphenol.
What is the SMILES notation for 2-pentadecan-6-ylphenol?
The canonical SMILES for 2-pentadecan-6-ylphenol is CCCCCCCCCC(CCCCC)c1ccccc1O.
What is the InChIKey of 2-pentadecan-6-ylphenol?
The InChIKey is XHDVSVOGIVXODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O/c1-3-5-7-8-9-10-12-16-19(15-11-6-4-2)20-17-13-14-18-21(20)22/h13-14,17-19,22H,3-12,15-16H2,1-2H3.
What are the key properties of 2-pentadecan-6-ylphenol?
2-pentadecan-6-ylphenol has a molecular weight of 304.52 g/mol, XLogP of 7.20, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadecan-6-ylphenol is sourced from PubChem (CID 66865451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).