1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one

C16H15ClO2 — CID 106865437

IUPAC1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
SMILESCc1ccc(CC(=O)COc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H15ClO2/c1-12-7-8-13(16(17)9-12)10-14(18)11-19-15-5-3-2-4-6-15/h2-9H,10-11H2,1H3
InChIKeyRJODMGOLNKVCNX-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.84
Rot. Bonds5

About 1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one

1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one (PubChem CID 106865437) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
PubChem CID106865437
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
SMILESCc1ccc(CC(=O)COc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H15ClO2/c1-12-7-8-13(16(17)9-12)10-14(18)11-19-15-5-3-2-4-6-15/h2-9H,10-11H2,1H3
InChIKeyRJODMGOLNKVCNX-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-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

1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one
CID 106865364
1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol
CID 106867236
1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one
CID 62716544
1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one
CID 105079492
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2507011
[[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate
CID 146175960
1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one
CID 62622233
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913
1-(2-chloro-4-methylphenyl)heptan-2-one
CID 106865600
1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one
CID 62717383
1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one
CID 62716864
1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one
CID 106871178

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one (CID 106865437) is 1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one is Cc1ccc(CC(=O)COc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one?
The InChIKey is RJODMGOLNKVCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-12-7-8-13(16(17)9-12)10-14(18)11-19-15-5-3-2-4-6-15/h2-9H,10-11H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one?
1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one has a molecular weight of 274.75 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one is sourced from PubChem (CID 106865437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).