1-(3-fluoro-4-methoxyphenyl)pentan-3-one

C12H15FO2 — CID 43175845

IUPAC1-(3-fluoro-4-methoxyphenyl)pentan-3-one
SMILESCCC(=O)CCc1ccc(OC)c(F)c1
InChIInChI=1S/C12H15FO2/c1-3-10(14)6-4-9-5-7-12(15-2)11(13)8-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyICPCAQMBEIIMQU-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.75
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)pentan-3-one

1-(3-fluoro-4-methoxyphenyl)pentan-3-one (PubChem CID 43175845) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)pentan-3-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)pentan-3-one
PubChem CID43175845
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-(3-fluoro-4-methoxyphenyl)pentan-3-one
SMILESCCC(=O)CCc1ccc(OC)c(F)c1
InChIInChI=1S/C12H15FO2/c1-3-10(14)6-4-9-5-7-12(15-2)11(13)8-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyICPCAQMBEIIMQU-UHFFFAOYSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
ethane;1-(4-hydroxy-3-methoxyphenyl)pentan-3-one
CID 154645810
4-(3-aminophenyl)-1-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116603265
3-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886057
N-cyclopentyl-N-ethyl-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 134060945
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
CID 62620066
1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,14-dione
CID 70011892
3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110001057
3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide
CID 134055920
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
1,5-bis[4-methoxy-3-(trifluoromethyl)phenyl]pentan-3-one
CID 151393915

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)pentan-3-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)pentan-3-one (CID 43175845) is 1-(3-fluoro-4-methoxyphenyl)pentan-3-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)pentan-3-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)pentan-3-one is CCC(=O)CCc1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)pentan-3-one?
The InChIKey is ICPCAQMBEIIMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-10(14)6-4-9-5-7-12(15-2)11(13)8-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)pentan-3-one?
1-(3-fluoro-4-methoxyphenyl)pentan-3-one has a molecular weight of 210.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)pentan-3-one is sourced from PubChem (CID 43175845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).