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

C18H30O — CID 66865491

IUPAC2-(4-ethyldecan-5-yl)phenol
SMILESCCCCCC(c1ccccc1O)C(CC)CCC
InChIInChI=1S/C18H30O/c1-4-7-8-12-16(15(6-3)11-5-2)17-13-9-10-14-18(17)19/h9-10,13-16,19H,4-8,11-12H2,1-3H3
InChIKeyOWASSDQGKBSPHF-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.88
Rot. Bonds9

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

2-(4-ethyldecan-5-yl)phenol (PubChem CID 66865491) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-(4-ethyldecan-5-yl)phenol.

Molecular Properties

Compound Name2-(4-ethyldecan-5-yl)phenol
PubChem CID66865491
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2-(4-ethyldecan-5-yl)phenol
SMILESCCCCCC(c1ccccc1O)C(CC)CCC
InChIInChI=1S/C18H30O/c1-4-7-8-12-16(15(6-3)11-5-2)17-13-9-10-14-18(17)19/h9-10,13-16,19H,4-8,11-12H2,1-3H3
InChIKeyOWASSDQGKBSPHF-UHFFFAOYSA-N
XLogP5.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.88
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-ethylnonadecan-10-yl)phenol
CID 66866219
2-(8-ethyloctadecan-9-yl)phenol
CID 66884057
2-(4-propyldecan-5-yl)phenol
CID 66866099
2-(6-propylpentadecan-7-yl)phenol
CID 66865581
2-(4-propylnonan-5-yl)phenol
CID 66866241
2-(10-octyldocosan-11-yl)phenol
CID 66866246
2-(9-heptylhenicosan-10-yl)phenol
CID 66867451
2-(4-methyldodecan-5-yl)phenol
CID 66867527
2-(2-methyltetradecan-3-yl)phenol
CID 66867142
2-dodecan-3-ylphenol
CID 12820018
2-tetradecan-3-ylphenol
CID 66866793
2-pentadecan-6-ylphenol
CID 66865451

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyldecan-5-yl)phenol?
The IUPAC name of 2-(4-ethyldecan-5-yl)phenol (CID 66865491) is 2-(4-ethyldecan-5-yl)phenol.
What is the SMILES notation for 2-(4-ethyldecan-5-yl)phenol?
The canonical SMILES for 2-(4-ethyldecan-5-yl)phenol is CCCCCC(c1ccccc1O)C(CC)CCC.
What is the InChIKey of 2-(4-ethyldecan-5-yl)phenol?
The InChIKey is OWASSDQGKBSPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-4-7-8-12-16(15(6-3)11-5-2)17-13-9-10-14-18(17)19/h9-10,13-16,19H,4-8,11-12H2,1-3H3.
What are the key properties of 2-(4-ethyldecan-5-yl)phenol?
2-(4-ethyldecan-5-yl)phenol has a molecular weight of 262.44 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyldecan-5-yl)phenol is sourced from PubChem (CID 66865491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).