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

C16H15ClO2 — CID 91864298

IUPAC1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccccc2Cl)cc1C
InChIInChI=1S/C16H15ClO2/c1-11-9-14(7-8-15(11)12(2)18)19-10-13-5-3-4-6-16(13)17/h3-9H,10H2,1-2H3
InChIKeyOMIULRLLBBSBAS-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.43
Rot. Bonds4

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

1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone (PubChem CID 91864298) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
PubChem CID91864298
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccccc2Cl)cc1C
InChIInChI=1S/C16H15ClO2/c1-11-9-14(7-8-15(11)12(2)18)19-10-13-5-3-4-6-16(13)17/h3-9H,10H2,1-2H3
InChIKeyOMIULRLLBBSBAS-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

4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide
CID 81277624
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone
CID 91863438
2-chloro-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 19168424
4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 60725527
1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone
CID 107719291
methyl 2-acetamido-5-[(2-chlorophenyl)methoxy]benzoate
CID 25235967
2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 107723647
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
4-[(2-chlorophenyl)methoxy]-N-(3,5-dimethylphenyl)benzamide
CID 8813300
1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864314

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone?
The IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone (CID 91864298) is 1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone is CC(=O)c1ccc(OCc2ccccc2Cl)cc1C.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone?
The InChIKey is OMIULRLLBBSBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-11-9-14(7-8-15(11)12(2)18)19-10-13-5-3-4-6-16(13)17/h3-9H,10H2,1-2H3.
What are the key properties of 1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone?
1-[4-[(2-chlorophenyl)methoxy]-2-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-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone is sourced from PubChem (CID 91864298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).