1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one

C13H17FO3 — CID 116707093

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one
SMILESCCC(OC)C(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C13H17FO3/c1-4-12(16-2)11(15)8-9-5-6-13(17-3)10(14)7-9/h5-7,12H,4,8H2,1-3H3
InChIKeyGNIWSEOBLGMOFF-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.37
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one

1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one (PubChem CID 116707093) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one
PubChem CID116707093
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one
SMILESCCC(OC)C(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C13H17FO3/c1-4-12(16-2)11(15)8-9-5-6-13(17-3)10(14)7-9/h5-7,12H,4,8H2,1-3H3
InChIKeyGNIWSEOBLGMOFF-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one
CID 116708613
3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one
CID 116751347
3-amino-1-(3-fluoro-4-methoxyphenyl)-5-methylhexan-2-one
CID 116553429
1-(3-fluoro-4-methoxyphenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586735
1-(3-fluoro-4-methoxyphenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446280
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
3-amino-1-(3-fluoro-4-methoxyphenyl)hex-5-yn-2-one
CID 116606481
2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334421
1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
CID 62620066
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
2-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43393255

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one (CID 116707093) is 1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one is CCC(OC)C(=O)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one?
The InChIKey is GNIWSEOBLGMOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-4-12(16-2)11(15)8-9-5-6-13(17-3)10(14)7-9/h5-7,12H,4,8H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one?
1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one has a molecular weight of 240.27 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one is sourced from PubChem (CID 116707093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).