2-(9-ethylnonadecan-10-yl)phenol

C27H48O — CID 66866219

IUPAC2-(9-ethylnonadecan-10-yl)phenol
SMILESCCCCCCCCCC(c1ccccc1O)C(CC)CCCCCCCC
InChIInChI=1S/C27H48O/c1-4-7-9-11-13-15-17-21-25(26-22-18-19-23-27(26)28)24(6-3)20-16-14-12-10-8-5-2/h18-19,22-25,28H,4-17,20-21H2,1-3H3
InChIKeyDXEMIEIILQUGOA-UHFFFAOYSA-N
MW388.68 g/mol
LogP9.39
Rot. Bonds18

About 2-(9-ethylnonadecan-10-yl)phenol

2-(9-ethylnonadecan-10-yl)phenol (PubChem CID 66866219) has the molecular formula C27H48O and a molecular weight of 388.68 g/mol. Its IUPAC name is 2-(9-ethylnonadecan-10-yl)phenol.

Molecular Properties

Compound Name2-(9-ethylnonadecan-10-yl)phenol
PubChem CID66866219
Molecular FormulaC27H48O
Molecular Weight388.68 g/mol
Exact Mass388.37
IUPAC Name2-(9-ethylnonadecan-10-yl)phenol
SMILESCCCCCCCCCC(c1ccccc1O)C(CC)CCCCCCCC
InChIInChI=1S/C27H48O/c1-4-7-9-11-13-15-17-21-25(26-22-18-19-23-27(26)28)24(6-3)20-16-14-12-10-8-5-2/h18-19,22-25,28H,4-17,20-21H2,1-3H3
InChIKeyDXEMIEIILQUGOA-UHFFFAOYSA-N
XLogP9.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 59.39
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-(8-ethyloctadecan-9-yl)phenol
CID 66884057
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-(9-ethylnonadecan-10-yl)phenol?
The IUPAC name of 2-(9-ethylnonadecan-10-yl)phenol (CID 66866219) is 2-(9-ethylnonadecan-10-yl)phenol.
What is the SMILES notation for 2-(9-ethylnonadecan-10-yl)phenol?
The canonical SMILES for 2-(9-ethylnonadecan-10-yl)phenol is CCCCCCCCCC(c1ccccc1O)C(CC)CCCCCCCC.
What is the InChIKey of 2-(9-ethylnonadecan-10-yl)phenol?
The InChIKey is DXEMIEIILQUGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O/c1-4-7-9-11-13-15-17-21-25(26-22-18-19-23-27(26)28)24(6-3)20-16-14-12-10-8-5-2/h18-19,22-25,28H,4-17,20-21H2,1-3H3.
What are the key properties of 2-(9-ethylnonadecan-10-yl)phenol?
2-(9-ethylnonadecan-10-yl)phenol has a molecular weight of 388.68 g/mol, XLogP of 9.39, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-ethylnonadecan-10-yl)phenol is sourced from PubChem (CID 66866219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).