1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one

C13H14ClFO — CID 83155251

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one
SMILESCc1cc(C(=O)C(C)C2CC2)c(Cl)cc1F
InChIInChI=1S/C13H14ClFO/c1-7-5-10(11(14)6-12(7)15)13(16)8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3
InChIKeyPHZVAYAVDGKXDB-UHFFFAOYSA-N
MW240.70 g/mol
LogP4.02
Rot. Bonds3

About 1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one

1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one (PubChem CID 83155251) has the molecular formula C13H14ClFO and a molecular weight of 240.70 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one
PubChem CID83155251
Molecular FormulaC13H14ClFO
Molecular Weight240.70 g/mol
Exact Mass240.07
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one
SMILESCc1cc(C(=O)C(C)C2CC2)c(Cl)cc1F
InChIInChI=1S/C13H14ClFO/c1-7-5-10(11(14)6-12(7)15)13(16)8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3
InChIKeyPHZVAYAVDGKXDB-UHFFFAOYSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.70
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one 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

propan-2-yl 2-chloro-4-fluoro-5-methylbenzoate
CID 22955956
2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one
CID 105349113
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylbutan-1-one
CID 81045808
1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826851
2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
CID 746126
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
2-chloro-4-fluoro-5-methylbenzoic acid;2-chloro-4-fluoro-5-methylbenzoyl chloride;oxalyl dichloride
CID 160658516
2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide
CID 167757534
1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 81045032

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one (CID 83155251) is 1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one is Cc1cc(C(=O)C(C)C2CC2)c(Cl)cc1F.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one?
The InChIKey is PHZVAYAVDGKXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO/c1-7-5-10(11(14)6-12(7)15)13(16)8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one?
1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one has a molecular weight of 240.70 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylpropan-1-one is sourced from PubChem (CID 83155251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).