2-(4-propyldecan-5-yl)phenol

C19H32O — CID 66866099

IUPAC2-(4-propyldecan-5-yl)phenol
SMILESCCCCCC(c1ccccc1O)C(CCC)CCC
InChIInChI=1S/C19H32O/c1-4-7-8-13-17(16(11-5-2)12-6-3)18-14-9-10-15-19(18)20/h9-10,14-17,20H,4-8,11-13H2,1-3H3
InChIKeyFSBUXDHEWFBTOQ-UHFFFAOYSA-N
MW276.46 g/mol
LogP6.27
Rot. Bonds10

About 2-(4-propyldecan-5-yl)phenol

2-(4-propyldecan-5-yl)phenol (PubChem CID 66866099) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 2-(4-propyldecan-5-yl)phenol.

Molecular Properties

Compound Name2-(4-propyldecan-5-yl)phenol
PubChem CID66866099
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name2-(4-propyldecan-5-yl)phenol
SMILESCCCCCC(c1ccccc1O)C(CCC)CCC
InChIInChI=1S/C19H32O/c1-4-7-8-13-17(16(11-5-2)12-6-3)18-14-9-10-15-19(18)20/h9-10,14-17,20H,4-8,11-13H2,1-3H3
InChIKeyFSBUXDHEWFBTOQ-UHFFFAOYSA-N
XLogP6.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
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-(6-propylpentadecan-7-yl)phenol
CID 66865581
2-(4-propylnonan-5-yl)phenol
CID 66866241
2-(4-ethyldecan-5-yl)phenol
CID 66865491
2-(10-octyldocosan-11-yl)phenol
CID 66866246
2-(9-heptylhenicosan-10-yl)phenol
CID 66867451
2-(9-ethylnonadecan-10-yl)phenol
CID 66866219
2-(8-ethyloctadecan-9-yl)phenol
CID 66884057
2-(4-methyldodecan-5-yl)phenol
CID 66867527
2-(2-methyltetradecan-3-yl)phenol
CID 66867142
2-pentadecan-6-ylphenol
CID 66865451
2-dodecan-3-ylphenol
CID 12820018
2-tetradecan-3-ylphenol
CID 66866793

Frequently Asked Questions

What is the IUPAC name of 2-(4-propyldecan-5-yl)phenol?
The IUPAC name of 2-(4-propyldecan-5-yl)phenol (CID 66866099) is 2-(4-propyldecan-5-yl)phenol.
What is the SMILES notation for 2-(4-propyldecan-5-yl)phenol?
The canonical SMILES for 2-(4-propyldecan-5-yl)phenol is CCCCCC(c1ccccc1O)C(CCC)CCC.
What is the InChIKey of 2-(4-propyldecan-5-yl)phenol?
The InChIKey is FSBUXDHEWFBTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-4-7-8-13-17(16(11-5-2)12-6-3)18-14-9-10-15-19(18)20/h9-10,14-17,20H,4-8,11-13H2,1-3H3.
What are the key properties of 2-(4-propyldecan-5-yl)phenol?
2-(4-propyldecan-5-yl)phenol has a molecular weight of 276.46 g/mol, XLogP of 6.27, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propyldecan-5-yl)phenol is sourced from PubChem (CID 66866099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).