3-phenylundecan-1-ol

C17H28O — CID 101150144

IUPAC3-phenylundecan-1-ol
SMILESCCCCCCCCC(CCO)c1ccccc1
InChIInChI=1S/C17H28O/c1-2-3-4-5-6-8-13-17(14-15-18)16-11-9-7-10-12-16/h7,9-12,17-18H,2-6,8,13-15H2,1H3
InChIKeyQGZIDSXMTNPLQK-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.90
Rot. Bonds10

About 3-phenylundecan-1-ol

3-phenylundecan-1-ol (PubChem CID 101150144) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-phenylundecan-1-ol.

Molecular Properties

Compound Name3-phenylundecan-1-ol
PubChem CID101150144
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name3-phenylundecan-1-ol
SMILESCCCCCCCCC(CCO)c1ccccc1
InChIInChI=1S/C17H28O/c1-2-3-4-5-6-8-13-17(14-15-18)16-11-9-7-10-12-16/h7,9-12,17-18H,2-6,8,13-15H2,1H3
InChIKeyQGZIDSXMTNPLQK-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-phenylundecan-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

icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
10-phenyltetradecan-5-ylbenzene
CID 22891787
5-phenyl-9-propylpentadecan-1-ol
CID 154445403
11-phenyloctadecanoic acid
CID 101320092
4-phenyldodecanoic acid
CID 67722235
6-phenyloctadecanoic acid
CID 56981512
2-(2-phenylnonylamino)ethanol
CID 142077190
octan-3-ylbenzene
CID 519547
heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242
1-bromododecan-2-ylbenzene
CID 66043461
2-phenylundecan-1-amine
CID 57256894

Frequently Asked Questions

What is the IUPAC name of 3-phenylundecan-1-ol?
The IUPAC name of 3-phenylundecan-1-ol (CID 101150144) is 3-phenylundecan-1-ol.
What is the SMILES notation for 3-phenylundecan-1-ol?
The canonical SMILES for 3-phenylundecan-1-ol is CCCCCCCCC(CCO)c1ccccc1.
What is the InChIKey of 3-phenylundecan-1-ol?
The InChIKey is QGZIDSXMTNPLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-2-3-4-5-6-8-13-17(14-15-18)16-11-9-7-10-12-16/h7,9-12,17-18H,2-6,8,13-15H2,1H3.
What are the key properties of 3-phenylundecan-1-ol?
3-phenylundecan-1-ol has a molecular weight of 248.41 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylundecan-1-ol is sourced from PubChem (CID 101150144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).