2-(4-chlorophenyl)hexan-3-ol

C12H17ClO — CID 83051446

IUPAC2-(4-chlorophenyl)hexan-3-ol
SMILESCCCC(O)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClO/c1-3-4-12(14)9(2)10-5-7-11(13)8-6-10/h5-9,12,14H,3-4H2,1-2H3
InChIKeyMCMIBVNCMXWNQL-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.60
Rot. Bonds4

About 2-(4-chlorophenyl)hexan-3-ol

2-(4-chlorophenyl)hexan-3-ol (PubChem CID 83051446) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)hexan-3-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)hexan-3-ol
PubChem CID83051446
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name2-(4-chlorophenyl)hexan-3-ol
SMILESCCCC(O)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClO/c1-3-4-12(14)9(2)10-5-7-11(13)8-6-10/h5-9,12,14H,3-4H2,1-2H3
InChIKeyMCMIBVNCMXWNQL-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)hexan-3-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

1-(4-chlorophenyl)pentane-1,2-diol
CID 103454768
1-chloro-4-(1-chloro-2-methylpentyl)benzene
CID 63429099
1-(4-chlorophenyl)butane-1-thiol
CID 57054877
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
(1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol
CID 15778521
1-chloro-4-(1-chloropentan-2-yl)benzene
CID 79019451
1-(4-chlorophenyl)-2-ethoxypentan-1-ol
CID 116711364
1-chloro-4-(1-chloro-3-methylhexan-2-yl)benzene
CID 107893267
1-chloro-4-(3-methylbutan-2-yl)benzene;ethane
CID 166470462
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)hexan-3-ol?
The IUPAC name of 2-(4-chlorophenyl)hexan-3-ol (CID 83051446) is 2-(4-chlorophenyl)hexan-3-ol.
What is the SMILES notation for 2-(4-chlorophenyl)hexan-3-ol?
The canonical SMILES for 2-(4-chlorophenyl)hexan-3-ol is CCCC(O)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)hexan-3-ol?
The InChIKey is MCMIBVNCMXWNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-3-4-12(14)9(2)10-5-7-11(13)8-6-10/h5-9,12,14H,3-4H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)hexan-3-ol?
2-(4-chlorophenyl)hexan-3-ol has a molecular weight of 212.72 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)hexan-3-ol is sourced from PubChem (CID 83051446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).