2-(6-propylpentadecan-7-yl)phenol

C24H42O — CID 66865581

IUPAC2-(6-propylpentadecan-7-yl)phenol
SMILESCCCCCCCCC(c1ccccc1O)C(CCC)CCCCC
InChIInChI=1S/C24H42O/c1-4-7-9-10-11-13-18-22(23-19-14-15-20-24(23)25)21(16-6-3)17-12-8-5-2/h14-15,19-22,25H,4-13,16-18H2,1-3H3
InChIKeyFFGOCZSBDJYULM-UHFFFAOYSA-N
MW346.60 g/mol
LogP8.22
Rot. Bonds15

About 2-(6-propylpentadecan-7-yl)phenol

2-(6-propylpentadecan-7-yl)phenol (PubChem CID 66865581) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-(6-propylpentadecan-7-yl)phenol.

Molecular Properties

Compound Name2-(6-propylpentadecan-7-yl)phenol
PubChem CID66865581
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name2-(6-propylpentadecan-7-yl)phenol
SMILESCCCCCCCCC(c1ccccc1O)C(CCC)CCCCC
InChIInChI=1S/C24H42O/c1-4-7-9-10-11-13-18-22(23-19-14-15-20-24(23)25)21(16-6-3)17-12-8-5-2/h14-15,19-22,25H,4-13,16-18H2,1-3H3
InChIKeyFFGOCZSBDJYULM-UHFFFAOYSA-N
XLogP8.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 58.22
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-(9-heptylhenicosan-10-yl)phenol
CID 66867451
2-(10-octyldocosan-11-yl)phenol
CID 66866246
2-(4-propyldecan-5-yl)phenol
CID 66866099
2-(4-propylnonan-5-yl)phenol
CID 66866241
2-(8-ethyloctadecan-9-yl)phenol
CID 66884057
2-(9-ethylnonadecan-10-yl)phenol
CID 66866219
2-(4-ethyldecan-5-yl)phenol
CID 66865491
2-(4-methyldodecan-5-yl)phenol
CID 66867527
2-(2-methyltetradecan-3-yl)phenol
CID 66867142
2-pentadecan-6-ylphenol
CID 66865451
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018

Frequently Asked Questions

What is the IUPAC name of 2-(6-propylpentadecan-7-yl)phenol?
The IUPAC name of 2-(6-propylpentadecan-7-yl)phenol (CID 66865581) is 2-(6-propylpentadecan-7-yl)phenol.
What is the SMILES notation for 2-(6-propylpentadecan-7-yl)phenol?
The canonical SMILES for 2-(6-propylpentadecan-7-yl)phenol is CCCCCCCCC(c1ccccc1O)C(CCC)CCCCC.
What is the InChIKey of 2-(6-propylpentadecan-7-yl)phenol?
The InChIKey is FFGOCZSBDJYULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-4-7-9-10-11-13-18-22(23-19-14-15-20-24(23)25)21(16-6-3)17-12-8-5-2/h14-15,19-22,25H,4-13,16-18H2,1-3H3.
What are the key properties of 2-(6-propylpentadecan-7-yl)phenol?
2-(6-propylpentadecan-7-yl)phenol has a molecular weight of 346.60 g/mol, XLogP of 8.22, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propylpentadecan-7-yl)phenol is sourced from PubChem (CID 66865581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).