1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone

C16H15ClO2 — CID 146009929

IUPAC1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone
SMILESCc1cccc(C(=O)COCc2ccccc2)c1Cl
InChIInChI=1S/C16H15ClO2/c1-12-6-5-9-14(16(12)17)15(18)11-19-10-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChIKeyCMEYOYHJRPXGJC-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.05
Rot. Bonds5

About 1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone

1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone (PubChem CID 146009929) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone
PubChem CID146009929
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone
SMILESCc1cccc(C(=O)COCc2ccccc2)c1Cl
InChIInChI=1S/C16H15ClO2/c1-12-6-5-9-14(16(12)17)15(18)11-19-10-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChIKeyCMEYOYHJRPXGJC-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-2-phenylmethoxyethanone
CID 62029251
1-(2-chloro-3-methylphenyl)-2-propoxyethanone
CID 115783219
2-phenylmethoxy-1-(2-propan-2-ylphenyl)ethanone
CID 146007162
1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
CID 62030960
1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone
CID 62031532
1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone
CID 146010879
1-(2-chloro-4-fluorophenyl)-2-phenylmethoxyethanone
CID 146009455
2-[(3-chlorophenyl)methoxy]-1-(2-methoxyphenyl)ethanone
CID 65126569
2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone
CID 65125946
methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate
CID 146010495
1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792581
3-amino-1-(2-chloro-3-methylphenyl)propan-1-one
CID 117287477

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone (CID 146009929) is 1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone is Cc1cccc(C(=O)COCc2ccccc2)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone?
The InChIKey is CMEYOYHJRPXGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-12-6-5-9-14(16(12)17)15(18)11-19-10-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone?
1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone has a molecular weight of 274.75 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone is sourced from PubChem (CID 146009929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).