2-ethyl-2-phenylnonan-1-ol

C17H28O — CID 66057887

IUPAC2-ethyl-2-phenylnonan-1-ol
SMILESCCCCCCCC(CC)(CO)c1ccccc1
InChIInChI=1S/C17H28O/c1-3-5-6-7-11-14-17(4-2,15-18)16-12-9-8-10-13-16/h8-10,12-13,18H,3-7,11,14-15H2,1-2H3
InChIKeyURXJCSRAVWHTSW-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.69
Rot. Bonds9

About 2-ethyl-2-phenylnonan-1-ol

2-ethyl-2-phenylnonan-1-ol (PubChem CID 66057887) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-ethyl-2-phenylnonan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-phenylnonan-1-ol
PubChem CID66057887
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name2-ethyl-2-phenylnonan-1-ol
SMILESCCCCCCCC(CC)(CO)c1ccccc1
InChIInChI=1S/C17H28O/c1-3-5-6-7-11-14-17(4-2,15-18)16-12-9-8-10-13-16/h8-10,12-13,18H,3-7,11,14-15H2,1-2H3
InChIKeyURXJCSRAVWHTSW-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethyl-2-phenylnonan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-phenyldecan-1-ol
CID 66058928
2-butyl-2-phenylpropane-1,3-diol
CID 79449681
5-butylhexadecan-5-ylbenzene
CID 173084700
3-(chloromethyl)undecan-3-ylbenzene
CID 66033821
N,2-diethyl-2-phenyldecan-1-amine
CID 63507626
4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
CID 143493864
2-heptyl-2-(4-methylphenyl)propane-1,3-diol
CID 79450135
1,3-bis(3-ethyldodecan-3-yl)benzene
CID 150177069
(8-nonyl-8-phenylheptadecyl) dihydrogen phosphate
CID 141475545
2-(8-ethylpentadecan-8-yl)phenol
CID 87184015
2-(11-ethylhenicosan-11-yl)phenol
CID 87183827
15-phenylnonacosan-15-ylbenzene
CID 141310981

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-phenylnonan-1-ol?
The IUPAC name of 2-ethyl-2-phenylnonan-1-ol (CID 66057887) is 2-ethyl-2-phenylnonan-1-ol.
What is the SMILES notation for 2-ethyl-2-phenylnonan-1-ol?
The canonical SMILES for 2-ethyl-2-phenylnonan-1-ol is CCCCCCCC(CC)(CO)c1ccccc1.
What is the InChIKey of 2-ethyl-2-phenylnonan-1-ol?
The InChIKey is URXJCSRAVWHTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-3-5-6-7-11-14-17(4-2,15-18)16-12-9-8-10-13-16/h8-10,12-13,18H,3-7,11,14-15H2,1-2H3.
What are the key properties of 2-ethyl-2-phenylnonan-1-ol?
2-ethyl-2-phenylnonan-1-ol has a molecular weight of 248.41 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-phenylnonan-1-ol is sourced from PubChem (CID 66057887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).