2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone

C15H12F2O2 — CID 43612523

IUPAC2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H12F2O2/c1-10-2-4-11(5-3-10)15(18)9-19-12-6-7-13(16)14(17)8-12/h2-8H,9H2,1H3
InChIKeyKIMFEIKPOXUGGU-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.53
Rot. Bonds4

About 2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone

2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone (PubChem CID 43612523) has the molecular formula C15H12F2O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
PubChem CID43612523
Molecular FormulaC15H12F2O2
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H12F2O2/c1-10-2-4-11(5-3-10)15(18)9-19-12-6-7-13(16)14(17)8-12/h2-8H,9H2,1H3
InChIKeyKIMFEIKPOXUGGU-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43612503
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
4-[2-(3,4-difluorophenoxy)acetyl]benzonitrile
CID 43612525
2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 43612540
2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
CID 60625443
2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone
CID 39109578
2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 114674097
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone (CID 43612523) is 2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)COc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone?
The InChIKey is KIMFEIKPOXUGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-10-2-4-11(5-3-10)15(18)9-19-12-6-7-13(16)14(17)8-12/h2-8H,9H2,1H3.
What are the key properties of 2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone?
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone has a molecular weight of 262.26 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 43612523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).