1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol

C10H12ClFO — CID 81045937

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
SMILESCCC(O)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C10H12ClFO/c1-3-10(13)7-4-6(2)9(12)5-8(7)11/h4-5,10,13H,3H2,1-2H3
InChIKeyOQIXANLOIHLYLV-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.23
Rot. Bonds2

About 1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol

1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol (PubChem CID 81045937) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
PubChem CID81045937
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
SMILESCCC(O)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C10H12ClFO/c1-3-10(13)7-4-6(2)9(12)5-8(7)11/h4-5,10,13H,3H2,1-2H3
InChIKeyOQIXANLOIHLYLV-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-4-fluoro-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

(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
1-(2-chloro-4-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 81045782
1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol
CID 81046025
1-(2-chloro-4-fluoro-5-methylphenyl)-2,2-difluoroethanol
CID 104632767
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 116830259
1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
CID 59135078
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165503
1-(2-chloro-5-fluorophenyl)propan-1-ol
CID 105393866
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine
CID 81045762
1-(2-chloro-4,5-difluorophenyl)-3-methylpentan-1-ol
CID 107477075
1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol
CID 116831182

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol (CID 81045937) is 1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol is CCC(O)c1cc(C)c(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol?
The InChIKey is OQIXANLOIHLYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-3-10(13)7-4-6(2)9(12)5-8(7)11/h4-5,10,13H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol?
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol has a molecular weight of 202.66 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 81045937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).