4-(2-fluoro-3-methoxyphenyl)pentan-2-one

C12H15FO2 — CID 82810773

IUPAC4-(2-fluoro-3-methoxyphenyl)pentan-2-one
SMILESCOc1cccc(C(C)CC(C)=O)c1F
InChIInChI=1S/C12H15FO2/c1-8(7-9(2)14)10-5-4-6-11(15-3)12(10)13/h4-6,8H,7H2,1-3H3
InChIKeyHOGPMAWMPCAYRV-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.92
Rot. Bonds4

About 4-(2-fluoro-3-methoxyphenyl)pentan-2-one

4-(2-fluoro-3-methoxyphenyl)pentan-2-one (PubChem CID 82810773) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-(2-fluoro-3-methoxyphenyl)pentan-2-one.

Molecular Properties

Compound Name4-(2-fluoro-3-methoxyphenyl)pentan-2-one
PubChem CID82810773
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name4-(2-fluoro-3-methoxyphenyl)pentan-2-one
SMILESCOc1cccc(C(C)CC(C)=O)c1F
InChIInChI=1S/C12H15FO2/c1-8(7-9(2)14)10-5-4-6-11(15-3)12(10)13/h4-6,8H,7H2,1-3H3
InChIKeyHOGPMAWMPCAYRV-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (3S)-3-amino-3-(2-fluoro-3-methoxyphenyl)propanoate
CID 171225305
methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate
CID 171225303
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol
CID 82808505
(1S)-1-(2-fluoro-3-methoxyphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171225298
N-ethyl-3-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 82811514
3-(2-hydroxy-3-methoxyphenyl)-1-(2,4,5-trimethoxyphenyl)butan-1-one
CID 10737231
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
propan-2-yl 3-(2-methoxyphenyl)butanoate
CID 10609854
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methoxyphenyl)pentan-2-one?
The IUPAC name of 4-(2-fluoro-3-methoxyphenyl)pentan-2-one (CID 82810773) is 4-(2-fluoro-3-methoxyphenyl)pentan-2-one.
What is the SMILES notation for 4-(2-fluoro-3-methoxyphenyl)pentan-2-one?
The canonical SMILES for 4-(2-fluoro-3-methoxyphenyl)pentan-2-one is COc1cccc(C(C)CC(C)=O)c1F.
What is the InChIKey of 4-(2-fluoro-3-methoxyphenyl)pentan-2-one?
The InChIKey is HOGPMAWMPCAYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-8(7-9(2)14)10-5-4-6-11(15-3)12(10)13/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-(2-fluoro-3-methoxyphenyl)pentan-2-one?
4-(2-fluoro-3-methoxyphenyl)pentan-2-one has a molecular weight of 210.25 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methoxyphenyl)pentan-2-one is sourced from PubChem (CID 82810773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).