2-(3-chlorophenyl)-3-methylhexan-2-ol

C13H19ClO — CID 107892502

IUPAC2-(3-chlorophenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClO/c1-4-6-10(2)13(3,15)11-7-5-8-12(14)9-11/h5,7-10,15H,4,6H2,1-3H3
InChIKeyCXGAOTMIIQOGCJ-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.98
Rot. Bonds4

About 2-(3-chlorophenyl)-3-methylhexan-2-ol

2-(3-chlorophenyl)-3-methylhexan-2-ol (PubChem CID 107892502) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-methylhexan-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-methylhexan-2-ol
PubChem CID107892502
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name2-(3-chlorophenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClO/c1-4-6-10(2)13(3,15)11-7-5-8-12(14)9-11/h5,7-10,15H,4,6H2,1-3H3
InChIKeyCXGAOTMIIQOGCJ-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methoxyphenyl)-3-methylhexan-2-ol
CID 107892511
ethyl 2-[1-(3-chlorophenyl)-1-hydroxyethyl]pentanoate
CID 83042781
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
2-(3,5-dimethylphenyl)-3-methylhexan-2-ol
CID 107892756
1-chloro-3-(2,3-dimethylbutan-2-yl)benzene
CID 118359606
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384
tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate
CID 66338727
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 119330329
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
2-(3-chlorophenyl)-2-methylpropane-1-sulfonic acid
CID 115046431
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
CID 82919978

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-methylhexan-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-3-methylhexan-2-ol (CID 107892502) is 2-(3-chlorophenyl)-3-methylhexan-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-3-methylhexan-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-3-methylhexan-2-ol is CCCC(C)C(C)(O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-methylhexan-2-ol?
The InChIKey is CXGAOTMIIQOGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-4-6-10(2)13(3,15)11-7-5-8-12(14)9-11/h5,7-10,15H,4,6H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-3-methylhexan-2-ol?
2-(3-chlorophenyl)-3-methylhexan-2-ol has a molecular weight of 226.75 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-methylhexan-2-ol is sourced from PubChem (CID 107892502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).