1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone

C15H15FO2 — CID 115812715

IUPAC1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(F)cc2C)c(C)o1
InChIInChI=1S/C15H15FO2/c1-9-6-13(16)5-4-12(9)8-15(17)14-7-10(2)18-11(14)3/h4-7H,8H2,1-3H3
InChIKeyLOUGIXSOURAVOI-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.77
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone

1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 115812715) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone
PubChem CID115812715
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(F)cc2C)c(C)o1
InChIInChI=1S/C15H15FO2/c1-9-6-13(16)5-4-12(9)8-15(17)14-7-10(2)18-11(14)3/h4-7H,8H2,1-3H3
InChIKeyLOUGIXSOURAVOI-UHFFFAOYSA-N
XLogP3.77
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800291
1-(2-ethylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812520
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673
1-(2,5-dimethylfuran-3-yl)-2-(2,6-dimethylphenyl)ethanone
CID 115792625
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114905857
2-(4-fluoro-2-methylphenyl)-1-phenylethanone
CID 114347156
1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812505
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)ethanone
CID 114964598
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812770
1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347353
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone (CID 115812715) is 1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone is Cc1cc(C(=O)Cc2ccc(F)cc2C)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is LOUGIXSOURAVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2/c1-9-6-13(16)5-4-12(9)8-15(17)14-7-10(2)18-11(14)3/h4-7H,8H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone?
1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone has a molecular weight of 246.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 115812715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).