1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one

C14H19FO — CID 83157845

IUPAC1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one
SMILESCc1ccc(F)cc1C(=O)CCCC(C)C
InChIInChI=1S/C14H19FO/c1-10(2)5-4-6-14(16)13-9-12(15)8-7-11(13)3/h7-10H,4-6H2,1-3H3
InChIKeyFOQYSNKGQOYOST-UHFFFAOYSA-N
MW222.30 g/mol
LogP4.14
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one

1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one (PubChem CID 83157845) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one
PubChem CID83157845
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one
SMILESCc1ccc(F)cc1C(=O)CCCC(C)C
InChIInChI=1S/C14H19FO/c1-10(2)5-4-6-14(16)13-9-12(15)8-7-11(13)3/h7-10H,4-6H2,1-3H3
InChIKeyFOQYSNKGQOYOST-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one
CID 116610017
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324
5-methyl-1-(2-methylphenyl)hexan-1-one
CID 83157538
1-(4-fluoro-2-methylphenyl)-4-(methylamino)butan-1-one
CID 116555760
3-butoxy-1-(5-fluoro-2-methylphenyl)propan-1-one
CID 115002060
5-methyl-1-(3,4,5-trifluorophenyl)hexan-1-one
CID 83158869
1-(4-bromo-2-fluorophenyl)-5-methylhexan-1-one
CID 114905932
1-(3-bromo-5-fluorophenyl)-5-methylhexan-1-one
CID 83161742
(4S)-4-[(5-fluoro-2-methylbenzoyl)amino]pentanoic acid
CID 95359084
5-fluoro-2-(4-methylpentylamino)benzoic acid
CID 63672827
1-(4-fluoro-2-methylphenyl)hexan-1-one
CID 71197787
3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one
CID 116608359

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one (CID 83157845) is 1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one is Cc1ccc(F)cc1C(=O)CCCC(C)C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one?
The InChIKey is FOQYSNKGQOYOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-10(2)5-4-6-14(16)13-9-12(15)8-7-11(13)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one?
1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one has a molecular weight of 222.30 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one is sourced from PubChem (CID 83157845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).