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

C17H17FO2 — CID 63936552

IUPAC1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone
SMILESCc1ccc(C(=O)COCc2ccccc2F)c(C)c1
InChIInChI=1S/C17H17FO2/c1-12-7-8-15(13(2)9-12)17(19)11-20-10-14-5-3-4-6-16(14)18/h3-9H,10-11H2,1-2H3
InChIKeyIHCAFIHKBWIEIQ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.84
Rot. Bonds5

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

1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone (PubChem CID 63936552) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone
PubChem CID63936552
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone
SMILESCc1ccc(C(=O)COCc2ccccc2F)c(C)c1
InChIInChI=1S/C17H17FO2/c1-12-7-8-15(13(2)9-12)17(19)11-20-10-14-5-3-4-6-16(14)18/h3-9H,10-11H2,1-2H3
InChIKeyIHCAFIHKBWIEIQ-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone
CID 82006063
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63936750
1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029059
1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799480
1-(4-chlorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63935941
2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone
CID 65125946
(2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate
CID 127520358
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone
CID 43337245
1-(2,4-dimethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778164
1-(2,4-dimethylphenyl)-2-(3,3,3-trifluoropropoxy)ethanone
CID 82956283
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone
CID 82826611

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone (CID 63936552) is 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone is Cc1ccc(C(=O)COCc2ccccc2F)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone?
The InChIKey is IHCAFIHKBWIEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-12-7-8-15(13(2)9-12)17(19)11-20-10-14-5-3-4-6-16(14)18/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone?
1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone has a molecular weight of 272.32 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone is sourced from PubChem (CID 63936552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).