5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one

C14H19FO2 — CID 142814279

IUPAC5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one
SMILESCOc1ccc(F)cc1C(C)(C)CCC(C)=O
InChIInChI=1S/C14H19FO2/c1-10(16)7-8-14(2,3)12-9-11(15)5-6-13(12)17-4/h5-6,9H,7-8H2,1-4H3
InChIKeyBWWMYAPJQMBJJJ-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.48
Rot. Bonds5

About 5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one

5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one (PubChem CID 142814279) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one
PubChem CID142814279
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one
SMILESCOc1ccc(F)cc1C(C)(C)CCC(C)=O
InChIInChI=1S/C14H19FO2/c1-10(16)7-8-14(2,3)12-9-11(15)5-6-13(12)17-4/h5-6,9H,7-8H2,1-4H3
InChIKeyBWWMYAPJQMBJJJ-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-one
CID 69352095
N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176113
methyl (3R)-5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 23584372
methyl 5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 71210621
4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-4-methylpentanoic acid
CID 22284900
2-[(3,5-dimethylphenyl)methyl]-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentanoic acid
CID 22284927
(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
2-[(3,4-difluorophenyl)methyl]-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentanoic acid
CID 22284936
4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol
CID 116861530
3-cyano-3-(5-fluoro-2-methoxyphenyl)butanoic acid
CID 146308166
2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid
CID 82128315

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one (CID 142814279) is 5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one is COc1ccc(F)cc1C(C)(C)CCC(C)=O.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one?
The InChIKey is BWWMYAPJQMBJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-10(16)7-8-14(2,3)12-9-11(15)5-6-13(12)17-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one?
5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one has a molecular weight of 238.30 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one is sourced from PubChem (CID 142814279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).