1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one

C16H15ClO2 — CID 105081455

IUPAC1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one
SMILESCc1cccc(OCCC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClO2/c1-12-5-4-6-13(11-12)19-10-9-16(18)14-7-2-3-8-15(14)17/h2-8,11H,9-10H2,1H3
InChIKeyPLCFQNHBFNTLNM-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.30
Rot. Bonds5

About 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one

1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one (PubChem CID 105081455) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one
PubChem CID105081455
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one
SMILESCc1cccc(OCCC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClO2/c1-12-5-4-6-13(11-12)19-10-9-16(18)14-7-2-3-8-15(14)17/h2-8,11H,9-10H2,1H3
InChIKeyPLCFQNHBFNTLNM-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-phenoxypropan-1-one
CID 61029805
1-(3-methylphenyl)-3-phenoxypropan-1-one
CID 60798241
1-hydroxy-4-(3-methylphenoxy)butan-2-one
CID 95437359
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
[4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate
CID 26683269
1-(3-methylphenoxy)hex-5-yn-3-one
CID 105076394
2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid
CID 82136581
2-[3-(3-methylphenoxy)propoxy]benzoic acid
CID 43214606
1-(2-fluoro-4,6-dimethylphenyl)-3-(3-methylphenoxy)propan-1-one
CID 106883224
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
4-(3-methylphenoxy)butanoyl bromide
CID 21330549
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one (CID 105081455) is 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one is Cc1cccc(OCCC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one?
The InChIKey is PLCFQNHBFNTLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-12-5-4-6-13(11-12)19-10-9-16(18)14-7-2-3-8-15(14)17/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one?
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one has a molecular weight of 274.75 g/mol, XLogP of 4.30, 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-(3-methylphenoxy)propan-1-one is sourced from PubChem (CID 105081455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).