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

C17H17ClO2 — CID 65125946

IUPAC2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COCc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H17ClO2/c1-12-6-7-16(13(2)8-12)17(19)11-20-10-14-4-3-5-15(18)9-14/h3-9H,10-11H2,1-2H3
InChIKeyQTFBTSVWEOQOEP-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.36
Rot. Bonds5

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

2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone (PubChem CID 65125946) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone
PubChem CID65125946
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COCc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H17ClO2/c1-12-6-7-16(13(2)8-12)17(19)11-20-10-14-4-3-5-15(18)9-14/h3-9H,10-11H2,1-2H3
InChIKeyQTFBTSVWEOQOEP-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methoxy]-1-(2-methoxyphenyl)ethanone
CID 65126569
2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone
CID 65126472
1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029059
1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63936552
1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone
CID 60701262
2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone
CID 82006063
2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone
CID 65126522
1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone
CID 146009929
1-(2-methylphenyl)-2-phenylmethoxyethanone
CID 62029251
1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799480
1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
CID 62030960
methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate
CID 146010495

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone (CID 65125946) is 2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)COCc2cccc(Cl)c2)c(C)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is QTFBTSVWEOQOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-12-6-7-16(13(2)8-12)17(19)11-20-10-14-4-3-5-15(18)9-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone?
2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 288.77 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 65125946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).