2-(3-chloro-2,5-dimethylphenyl)propan-2-ol

C11H15ClO — CID 84668610

IUPAC2-(3-chloro-2,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(Cl)c(C)c(C(C)(C)O)c1
InChIInChI=1S/C11H15ClO/c1-7-5-9(11(3,4)13)8(2)10(12)6-7/h5-6,13H,1-4H3
InChIKeyHHCRPHFRILFYMZ-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.18
Rot. Bonds1

About 2-(3-chloro-2,5-dimethylphenyl)propan-2-ol

2-(3-chloro-2,5-dimethylphenyl)propan-2-ol (PubChem CID 84668610) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 2-(3-chloro-2,5-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-chloro-2,5-dimethylphenyl)propan-2-ol
PubChem CID84668610
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name2-(3-chloro-2,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(Cl)c(C)c(C(C)(C)O)c1
InChIInChI=1S/C11H15ClO/c1-7-5-9(11(3,4)13)8(2)10(12)6-7/h5-6,13H,1-4H3
InChIKeyHHCRPHFRILFYMZ-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-chloro-2,5-dimethylphenyl)propan-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

2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol
CID 163600414
2-(2-bromo-3,5-dimethylphenyl)propan-2-ol
CID 84703706
2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117445061
1-chloro-2,3,5-trimethylbenzene;ethane
CID 142028955
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
2-(2-amino-4,5-dichlorophenyl)propan-2-ol
CID 139377730
2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 59095314
2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol
CID 117113905
bis(3-chloro-2,5-dimethylphenyl)methanone
CID 139698512
1,3-ditert-butyl-2,5-dimethylbenzene;ethane
CID 158807348
2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol
CID 59095256

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,5-dimethylphenyl)propan-2-ol?
The IUPAC name of 2-(3-chloro-2,5-dimethylphenyl)propan-2-ol (CID 84668610) is 2-(3-chloro-2,5-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-chloro-2,5-dimethylphenyl)propan-2-ol?
The canonical SMILES for 2-(3-chloro-2,5-dimethylphenyl)propan-2-ol is Cc1cc(Cl)c(C)c(C(C)(C)O)c1.
What is the InChIKey of 2-(3-chloro-2,5-dimethylphenyl)propan-2-ol?
The InChIKey is HHCRPHFRILFYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-7-5-9(11(3,4)13)8(2)10(12)6-7/h5-6,13H,1-4H3.
What are the key properties of 2-(3-chloro-2,5-dimethylphenyl)propan-2-ol?
2-(3-chloro-2,5-dimethylphenyl)propan-2-ol has a molecular weight of 198.69 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,5-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 84668610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).