1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone

C11H13FO — CID 117278348

IUPAC1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone
SMILESCCc1cc(C(C)=O)c(C)cc1F
InChIInChI=1S/C11H13FO/c1-4-9-6-10(8(3)13)7(2)5-11(9)12/h5-6H,4H2,1-3H3
InChIKeyVKQYXPXBLXKIJJ-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.90
Rot. Bonds2

About 1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone

1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone (PubChem CID 117278348) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone
PubChem CID117278348
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone
SMILESCCc1cc(C(C)=O)c(C)cc1F
InChIInChI=1S/C11H13FO/c1-4-9-6-10(8(3)13)7(2)5-11(9)12/h5-6H,4H2,1-3H3
InChIKeyVKQYXPXBLXKIJJ-UHFFFAOYSA-N
XLogP2.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,5-diethyl-2-methylphenyl)ethanone
CID 18705096
2-acetyl-4-ethyl-5-fluorobenzonitrile
CID 131325163
5-ethyl-4-fluoro-2-methylphenol
CID 118092212
5-ethyl-2-fluoro-4-methylbenzoic acid
CID 118515389
(5-ethyl-4-fluoro-2-methylphenyl)methanol
CID 117276635
2-acetyl-5-ethyl-4-fluorobenzonitrile
CID 131325165
1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone
CID 22089064
1-(5-fluoro-4-iodo-2-methylphenyl)ethanone
CID 171022798
1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone
CID 13170022
ethane;4-ethyl-5-fluoro-N',2-dimethylbenzenecarboximidamide
CID 143831118
2-(5-ethyl-2,4-difluorophenyl)acetic acid
CID 117289054
1-(5-ethyl-2,3,4-trihydroxyphenyl)ethanone
CID 12958459

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone (CID 117278348) is 1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone is CCc1cc(C(C)=O)c(C)cc1F.
What is the InChIKey of 1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone?
The InChIKey is VKQYXPXBLXKIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-4-9-6-10(8(3)13)7(2)5-11(9)12/h5-6H,4H2,1-3H3.
What are the key properties of 1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone?
1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone has a molecular weight of 180.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 117278348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).