2-(8-ethyloctadecan-9-yl)phenol

C26H46O — CID 66884057

IUPAC2-(8-ethyloctadecan-9-yl)phenol
SMILESCCCCCCCCCC(c1ccccc1O)C(CC)CCCCCCC
InChIInChI=1S/C26H46O/c1-4-7-9-11-12-14-16-20-24(25-21-17-18-22-26(25)27)23(6-3)19-15-13-10-8-5-2/h17-18,21-24,27H,4-16,19-20H2,1-3H3
InChIKeyWVEIZKOAQUFFHG-UHFFFAOYSA-N
MW374.65 g/mol
LogP9.00
Rot. Bonds17

About 2-(8-ethyloctadecan-9-yl)phenol

2-(8-ethyloctadecan-9-yl)phenol (PubChem CID 66884057) has the molecular formula C26H46O and a molecular weight of 374.65 g/mol. Its IUPAC name is 2-(8-ethyloctadecan-9-yl)phenol.

Molecular Properties

Compound Name2-(8-ethyloctadecan-9-yl)phenol
PubChem CID66884057
Molecular FormulaC26H46O
Molecular Weight374.65 g/mol
Exact Mass374.35
IUPAC Name2-(8-ethyloctadecan-9-yl)phenol
SMILESCCCCCCCCCC(c1ccccc1O)C(CC)CCCCCCC
InChIInChI=1S/C26H46O/c1-4-7-9-11-12-14-16-20-24(25-21-17-18-22-26(25)27)23(6-3)19-15-13-10-8-5-2/h17-18,21-24,27H,4-16,19-20H2,1-3H3
InChIKeyWVEIZKOAQUFFHG-UHFFFAOYSA-N
XLogP9.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.65
LogP ≤ 59.00
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-(4-ethyldecan-5-yl)phenol
CID 66865491
2-(9-heptylhenicosan-10-yl)phenol
CID 66867451
2-(10-octyldocosan-11-yl)phenol
CID 66866246
2-(6-propylpentadecan-7-yl)phenol
CID 66865581
2-(4-propyldecan-5-yl)phenol
CID 66866099
2-(2-methyltetradecan-3-yl)phenol
CID 66867142
2-(4-propylnonan-5-yl)phenol
CID 66866241
2-(4-methyldodecan-5-yl)phenol
CID 66867527
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
2-pentadecan-6-ylphenol
CID 66865451

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyloctadecan-9-yl)phenol?
The IUPAC name of 2-(8-ethyloctadecan-9-yl)phenol (CID 66884057) is 2-(8-ethyloctadecan-9-yl)phenol.
What is the SMILES notation for 2-(8-ethyloctadecan-9-yl)phenol?
The canonical SMILES for 2-(8-ethyloctadecan-9-yl)phenol is CCCCCCCCCC(c1ccccc1O)C(CC)CCCCCCC.
What is the InChIKey of 2-(8-ethyloctadecan-9-yl)phenol?
The InChIKey is WVEIZKOAQUFFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O/c1-4-7-9-11-12-14-16-20-24(25-21-17-18-22-26(25)27)23(6-3)19-15-13-10-8-5-2/h17-18,21-24,27H,4-16,19-20H2,1-3H3.
What are the key properties of 2-(8-ethyloctadecan-9-yl)phenol?
2-(8-ethyloctadecan-9-yl)phenol has a molecular weight of 374.65 g/mol, XLogP of 9.00, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyloctadecan-9-yl)phenol is sourced from PubChem (CID 66884057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).