2-(6-ethylundecan-6-yl)phenol

C19H32O — CID 87183650

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

About 2-(6-ethylundecan-6-yl)phenol

2-(6-ethylundecan-6-yl)phenol (PubChem CID 87183650) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 2-(6-ethylundecan-6-yl)phenol.

Molecular Properties

Compound Name2-(6-ethylundecan-6-yl)phenol
PubChem CID87183650
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name2-(6-ethylundecan-6-yl)phenol
SMILESCCCCCC(CC)(CCCCC)c1ccccc1O
InChIInChI=1S/C19H32O/c1-4-7-11-15-19(6-3,16-12-8-5-2)17-13-9-10-14-18(17)20/h9-10,13-14,20H,4-8,11-12,15-16H2,1-3H3
InChIKeyPBUSRGUQHBQEDZ-UHFFFAOYSA-N
XLogP6.20
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 ≤ 56.20
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

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CID 87184015
2-(11-ethylhenicosan-11-yl)phenol
CID 87183827
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788
2-butyl-2-(2-hydroxyphenyl)heptanoic acid
CID 87233562
1-(5-butyldecan-5-yl)-2-methylbenzene
CID 173021095
1-methyl-2-(4-propylnonan-4-yl)benzene
CID 173020959
2-ethyl-2-phenyldecan-1-ol
CID 66058928
2-ethyl-2-phenylnonan-1-ol
CID 66057887
[2-(3-ethyloctan-3-yl)phenyl] dihydrogen phosphate
CID 141453576
2-(1,1-diphenoxynonyl)phenol
CID 66866946
2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79447348
1,3-bis(3-ethyldodecan-3-yl)benzene
CID 150177069

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylundecan-6-yl)phenol?
The IUPAC name of 2-(6-ethylundecan-6-yl)phenol (CID 87183650) is 2-(6-ethylundecan-6-yl)phenol.
What is the SMILES notation for 2-(6-ethylundecan-6-yl)phenol?
The canonical SMILES for 2-(6-ethylundecan-6-yl)phenol is CCCCCC(CC)(CCCCC)c1ccccc1O.
What is the InChIKey of 2-(6-ethylundecan-6-yl)phenol?
The InChIKey is PBUSRGUQHBQEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-4-7-11-15-19(6-3,16-12-8-5-2)17-13-9-10-14-18(17)20/h9-10,13-14,20H,4-8,11-12,15-16H2,1-3H3.
What are the key properties of 2-(6-ethylundecan-6-yl)phenol?
2-(6-ethylundecan-6-yl)phenol has a molecular weight of 276.46 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylundecan-6-yl)phenol is sourced from PubChem (CID 87183650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).