1-(2-chlorophenyl)-3-phenoxypropan-1-one

C15H13ClO2 — CID 61029805

IUPAC1-(2-chlorophenyl)-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H13ClO2/c16-14-9-5-4-8-13(14)15(17)10-11-18-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyUTGJAOJXGALPHZ-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.99
Rot. Bonds5

About 1-(2-chlorophenyl)-3-phenoxypropan-1-one

1-(2-chlorophenyl)-3-phenoxypropan-1-one (PubChem CID 61029805) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-phenoxypropan-1-one
PubChem CID61029805
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name1-(2-chlorophenyl)-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H13ClO2/c16-14-9-5-4-8-13(14)15(17)10-11-18-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyUTGJAOJXGALPHZ-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-3-phenoxypropan-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

1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one
CID 105081455
1-naphthalen-1-yl-3-phenoxypropan-1-one
CID 62717239
1-(5-chloro-2-methoxyphenyl)-3-phenoxypropan-1-one
CID 62790945
[4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate
CID 26682865
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 110365468
1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone
CID 43798625
2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide
CID 108554888
4-bromo-1-(2-chlorophenyl)butan-1-one
CID 139813923
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-3-phenoxypropan-1-one (CID 61029805) is 1-(2-chlorophenyl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-phenoxypropan-1-one?
The InChIKey is UTGJAOJXGALPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c16-14-9-5-4-8-13(14)15(17)10-11-18-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 1-(2-chlorophenyl)-3-phenoxypropan-1-one?
1-(2-chlorophenyl)-3-phenoxypropan-1-one has a molecular weight of 260.72 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-phenoxypropan-1-one is sourced from PubChem (CID 61029805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).