1-(4-fluorophenyl)ethanone;methanol

C9H11FO2 — CID 160697688

IUPAC1-(4-fluorophenyl)ethanone;methanol
SMILESCC(=O)c1ccc(F)cc1.CO
InChIInChI=1S/C8H7FO.CH4O/c1-6(10)7-2-4-8(9)5-3-7;1-2/h2-5H,1H3;2H,1H3
InChIKeyRQEYQBLIISGHMS-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.64
Rot. Bonds1

About 1-(4-fluorophenyl)ethanone;methanol

1-(4-fluorophenyl)ethanone;methanol (PubChem CID 160697688) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 1-(4-fluorophenyl)ethanone;methanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)ethanone;methanol
PubChem CID160697688
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name1-(4-fluorophenyl)ethanone;methanol
SMILESCC(=O)c1ccc(F)cc1.CO
InChIInChI=1S/C8H7FO.CH4O/c1-6(10)7-2-4-8(9)5-3-7;1-2/h2-5H,1H3;2H,1H3
InChIKeyRQEYQBLIISGHMS-UHFFFAOYSA-N
XLogP1.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 10634160
but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone
CID 157412429
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone
CID 21200809
1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
CID 82541260
2-(4-acetylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)ethanone
CID 5074635
(Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid
CID 91998911
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
4-acetyl(11C)benzoic acid
CID 11205952
1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone
CID 172808427
(4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 917641

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)ethanone;methanol?
The IUPAC name of 1-(4-fluorophenyl)ethanone;methanol (CID 160697688) is 1-(4-fluorophenyl)ethanone;methanol.
What is the SMILES notation for 1-(4-fluorophenyl)ethanone;methanol?
The canonical SMILES for 1-(4-fluorophenyl)ethanone;methanol is CC(=O)c1ccc(F)cc1.CO.
What is the InChIKey of 1-(4-fluorophenyl)ethanone;methanol?
The InChIKey is RQEYQBLIISGHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO.CH4O/c1-6(10)7-2-4-8(9)5-3-7;1-2/h2-5H,1H3;2H,1H3.
What are the key properties of 1-(4-fluorophenyl)ethanone;methanol?
1-(4-fluorophenyl)ethanone;methanol has a molecular weight of 170.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)ethanone;methanol is sourced from PubChem (CID 160697688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).