1-(2-chloro-5-methylphenyl)propan-1-ol

C10H13ClO — CID 83988244

IUPAC1-(2-chloro-5-methylphenyl)propan-1-ol
SMILESCCC(O)c1cc(C)ccc1Cl
InChIInChI=1S/C10H13ClO/c1-3-10(12)8-6-7(2)4-5-9(8)11/h4-6,10,12H,3H2,1-2H3
InChIKeyIFRYEWRPAZZEBV-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.09
Rot. Bonds2

About 1-(2-chloro-5-methylphenyl)propan-1-ol

1-(2-chloro-5-methylphenyl)propan-1-ol (PubChem CID 83988244) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)propan-1-ol
PubChem CID83988244
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name1-(2-chloro-5-methylphenyl)propan-1-ol
SMILESCCC(O)c1cc(C)ccc1Cl
InChIInChI=1S/C10H13ClO/c1-3-10(12)8-6-7(2)4-5-9(8)11/h4-6,10,12H,3H2,1-2H3
InChIKeyIFRYEWRPAZZEBV-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-5-methylphenyl)propan-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

1-(2-chloro-5-fluorophenyl)propan-1-ol
CID 105393866
1-(2-chloro-5-methylphenyl)ethanol;ethane
CID 143592290
1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol
CID 131075373
1-chloro-2-heptan-4-yl-4-methylbenzene
CID 134594279
1-(2-chloro-5-methylphenyl)-3-sulfanylpropane-1,2-diol
CID 170819408
1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol
CID 139704812
(1S)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758444
(1R)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758344
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
1-(2-chloro-5-methylanilino)butan-2-ol
CID 107634619
1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine
CID 130690285
2-(aminomethyl)-1-(2-chloro-4-methylphenyl)butan-1-ol
CID 106864336

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)propan-1-ol?
The IUPAC name of 1-(2-chloro-5-methylphenyl)propan-1-ol (CID 83988244) is 1-(2-chloro-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)propan-1-ol is CCC(O)c1cc(C)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)propan-1-ol?
The InChIKey is IFRYEWRPAZZEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-3-10(12)8-6-7(2)4-5-9(8)11/h4-6,10,12H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-5-methylphenyl)propan-1-ol?
1-(2-chloro-5-methylphenyl)propan-1-ol has a molecular weight of 184.67 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 83988244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).