1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone

C16H15ClO2 — CID 60701262

IUPAC1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H15ClO2/c1-11-6-7-15(12(2)18)16(8-11)19-10-13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3
InChIKeyAIEJBLSFIALCNR-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.43
Rot. Bonds4

About 1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone

1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone (PubChem CID 60701262) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone
PubChem CID60701262
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H15ClO2/c1-11-6-7-15(12(2)18)16(8-11)19-10-13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3
InChIKeyAIEJBLSFIALCNR-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
CID 55206091
2-[(3-chlorophenyl)methoxy]-5-(3-methylphenyl)benzoic acid
CID 175660787
1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267704
(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947420
4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63883310
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone
CID 65125946
1-[4-methyl-2-[(4-nitrophenyl)methoxy]phenyl]ethanone
CID 60701241
1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone
CID 82064162
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid
CID 63463866
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone?
The IUPAC name of 1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone (CID 60701262) is 1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone?
The canonical SMILES for 1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone is CC(=O)c1ccc(C)cc1OCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone?
The InChIKey is AIEJBLSFIALCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-11-6-7-15(12(2)18)16(8-11)19-10-13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3.
What are the key properties of 1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone?
1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone has a molecular weight of 274.75 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone is sourced from PubChem (CID 60701262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).