2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol

C10H12ClFO — CID 117291198

IUPAC2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol
SMILESCc1cc(Cl)cc(C(C)CO)c1F
InChIInChI=1S/C10H12ClFO/c1-6-3-8(11)4-9(10(6)12)7(2)5-13/h3-4,7,13H,5H2,1-2H3
InChIKeyVVKLCUHOLLPFSJ-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.88
Rot. Bonds2

About 2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol

2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol (PubChem CID 117291198) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol
PubChem CID117291198
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol
SMILESCc1cc(Cl)cc(C(C)CO)c1F
InChIInChI=1S/C10H12ClFO/c1-6-3-8(11)4-9(10(6)12)7(2)5-13/h3-4,7,13H,5H2,1-2H3
InChIKeyVVKLCUHOLLPFSJ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(5-chloro-2-fluoro-3-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

3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine
CID 84784490
2-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol
CID 117291192
2-(3-chloro-2,5-difluorophenyl)propan-1-ol
CID 117295350
2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol
CID 117113620
(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol
CID 137495606
2-(2,3-difluoro-4-methylphenyl)propan-1-ol
CID 117280430
2-(2,3,5-trifluorophenyl)propan-1-ol
CID 59218730
2-(3,5-dichlorophenyl)propan-1-ol
CID 130952476
2-[5-chloro-2-(methoxymethyl)phenyl]propan-1-ol
CID 117306024
2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol
CID 117345755
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol
CID 117113623
5-chloro-1-ethyl-2-fluoro-3-methylbenzene
CID 130776841

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol?
The IUPAC name of 2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol (CID 117291198) is 2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol is Cc1cc(Cl)cc(C(C)CO)c1F.
What is the InChIKey of 2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol?
The InChIKey is VVKLCUHOLLPFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-6-3-8(11)4-9(10(6)12)7(2)5-13/h3-4,7,13H,5H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol?
2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol has a molecular weight of 202.66 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 117291198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).