1-(3-chlorophenyl)-3-methylhexan-2-ol

C13H19ClO — CID 63017925

IUPAC1-(3-chlorophenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(O)Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClO/c1-3-5-10(2)13(15)9-11-6-4-7-12(14)8-11/h4,6-8,10,13,15H,3,5,9H2,1-2H3
InChIKeyYGJNDOANYRGYDX-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.68
Rot. Bonds5

About 1-(3-chlorophenyl)-3-methylhexan-2-ol

1-(3-chlorophenyl)-3-methylhexan-2-ol (PubChem CID 63017925) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-methylhexan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-methylhexan-2-ol
PubChem CID63017925
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name1-(3-chlorophenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(O)Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClO/c1-3-5-10(2)13(15)9-11-6-4-7-12(14)8-11/h4,6-8,10,13,15H,3,5,9H2,1-2H3
InChIKeyYGJNDOANYRGYDX-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-chlorophenyl)-3-methylhexan-2-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-(3-chlorophenyl)pentane-2,3-diol
CID 103454691
3-amino-1-(3-chlorophenyl)butan-2-ol
CID 82397554
1-(3-chlorophenyl)-3-ethylheptan-2-ol
CID 63517929
3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 65149566
N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
CID 43694851
2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529325
3-[(3-chlorophenyl)methyl]-4-methylpentan-2-ol
CID 62914608
1-(3-chlorophenyl)-4-propan-2-yloxybutan-2-ol
CID 115000273
1-chloro-3-(2-chloroheptyl)benzene
CID 63544270
1-(3-chlorophenyl)-5-methoxyhexan-2-ol
CID 105076733
4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81015822
1-chloro-3-(3-chloro-2-methylpropyl)benzene
CID 64665246

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-methylhexan-2-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-methylhexan-2-ol (CID 63017925) is 1-(3-chlorophenyl)-3-methylhexan-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-methylhexan-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-methylhexan-2-ol is CCCC(C)C(O)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-methylhexan-2-ol?
The InChIKey is YGJNDOANYRGYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-3-5-10(2)13(15)9-11-6-4-7-12(14)8-11/h4,6-8,10,13,15H,3,5,9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-methylhexan-2-ol?
1-(3-chlorophenyl)-3-methylhexan-2-ol has a molecular weight of 226.75 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-methylhexan-2-ol is sourced from PubChem (CID 63017925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).