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

C17H17ClO2 — CID 62030602

IUPAC2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COCc2ccccc2Cl)cc1C
InChIInChI=1S/C17H17ClO2/c1-12-7-8-14(9-13(12)2)17(19)11-20-10-15-5-3-4-6-16(15)18/h3-9H,10-11H2,1-2H3
InChIKeyCGLXRDMGAQALNC-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.36
Rot. Bonds5

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

2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone (PubChem CID 62030602) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone
PubChem CID62030602
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COCc2ccccc2Cl)cc1C
InChIInChI=1S/C17H17ClO2/c1-12-7-8-14(9-13(12)2)17(19)11-20-10-15-5-3-4-6-16(15)18/h3-9H,10-11H2,1-2H3
InChIKeyCGLXRDMGAQALNC-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-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone
CID 62029649
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 63528027
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone
CID 82802493
2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone
CID 62030412
1-[4-[(2-chlorophenyl)methoxy]-3-methylphenyl]-3-methoxypropan-1-one
CID 82051624
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
CID 19644735
1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712866
1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
CID 55031191
1-(4-chlorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63935941
phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2454304
2-chloro-6-[2-(3,4-dimethylphenyl)-2-oxoethoxy]benzonitrile
CID 114323709
N-(4-amino-2-methylphenyl)-2-[(2-chlorophenyl)methoxy]acetamide
CID 29272651

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone (CID 62030602) is 2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)COCc2ccccc2Cl)cc1C.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone?
The InChIKey is CGLXRDMGAQALNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-12-7-8-14(9-13(12)2)17(19)11-20-10-15-5-3-4-6-16(15)18/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone?
2-[(2-chlorophenyl)methoxy]-1-(3,4-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-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 62030602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).