1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one

C16H15ClO2 — CID 105079492

IUPAC1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one
SMILESCc1ccccc1CC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO2/c1-12-4-2-3-5-13(12)10-15(18)11-19-16-8-6-14(17)7-9-16/h2-9H,10-11H2,1H3
InChIKeyOYTXWKPLTGKDGD-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.84
Rot. Bonds5

About 1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one

1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one (PubChem CID 105079492) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one
PubChem CID105079492
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one
SMILESCc1ccccc1CC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO2/c1-12-4-2-3-5-13(12)10-15(18)11-19-16-8-6-14(17)7-9-16/h2-9H,10-11H2,1H3
InChIKeyOYTXWKPLTGKDGD-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-(4-chlorophenoxy)-3-(2-methylphenyl)propan-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

N'-[2-(4-chlorophenoxy)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 26163587
1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108885386
(2R)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100647925
(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 100568123
2-(4-chlorophenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone;oxalic acid
CID 17366265
1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
CID 106865437
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913
N'-[2-(4-methoxyphenoxy)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 26163562
2-(4-chlorophenoxy)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84559835
1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
CID 62034523
N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132708564
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one?
The IUPAC name of 1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one (CID 105079492) is 1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one is Cc1ccccc1CC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one?
The InChIKey is OYTXWKPLTGKDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-12-4-2-3-5-13(12)10-15(18)11-19-16-8-6-14(17)7-9-16/h2-9H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one?
1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-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-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one is sourced from PubChem (CID 105079492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).