2-(4-chlorophenyl)undecan-1-ol

C17H27ClO — CID 79437648

IUPAC2-(4-chlorophenyl)undecan-1-ol
SMILESCCCCCCCCCC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClO/c1-2-3-4-5-6-7-8-9-16(14-19)15-10-12-17(18)13-11-15/h10-13,16,19H,2-9,14H2,1H3
InChIKeyNIRSRMIBYXCYOW-UHFFFAOYSA-N
MW282.85 g/mol
LogP5.56
Rot. Bonds10

About 2-(4-chlorophenyl)undecan-1-ol

2-(4-chlorophenyl)undecan-1-ol (PubChem CID 79437648) has the molecular formula C17H27ClO and a molecular weight of 282.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)undecan-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)undecan-1-ol
PubChem CID79437648
Molecular FormulaC17H27ClO
Molecular Weight282.85 g/mol
Exact Mass282.18
IUPAC Name2-(4-chlorophenyl)undecan-1-ol
SMILESCCCCCCCCCC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClO/c1-2-3-4-5-6-7-8-9-16(14-19)15-10-12-17(18)13-11-15/h10-13,16,19H,2-9,14H2,1H3
InChIKeyNIRSRMIBYXCYOW-UHFFFAOYSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.85
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)undecan-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-(4-chlorophenyl)dodecan-1-amine
CID 79441361
(2R)-2-(6-chloro-3-pyridinyl)octan-1-ol
CID 124567268
2-(6-chloro-3-pyridinyl)octan-1-ol
CID 59729434
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
2-(4-chlorophenyl)-N-propyloctan-1-amine
CID 79437453
2-(4-chlorophenyl)-N-propan-2-yloctan-1-amine
CID 79438008
2-(4-chlorophenyl)-N-propylnonan-1-amine
CID 79438605
1-chloro-4-(1-chlorooctyl)benzene
CID 63429176
(1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol
CID 15778521
1-(1-bromoheptyl)-4-chlorobenzene
CID 114753552
1-(4-chlorophenyl)heptane-1-thiol
CID 173233874

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)undecan-1-ol?
The IUPAC name of 2-(4-chlorophenyl)undecan-1-ol (CID 79437648) is 2-(4-chlorophenyl)undecan-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)undecan-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)undecan-1-ol is CCCCCCCCCC(CO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)undecan-1-ol?
The InChIKey is NIRSRMIBYXCYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClO/c1-2-3-4-5-6-7-8-9-16(14-19)15-10-12-17(18)13-11-15/h10-13,16,19H,2-9,14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)undecan-1-ol?
2-(4-chlorophenyl)undecan-1-ol has a molecular weight of 282.85 g/mol, XLogP of 5.56, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)undecan-1-ol is sourced from PubChem (CID 79437648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).