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

C11H13FO3 — CID 103451541

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
SMILESCOc1ccc(CC(=O)C(C)O)cc1F
InChIInChI=1S/C11H13FO3/c1-7(13)10(14)6-8-3-4-11(15-2)9(12)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyLGGKKKPZWQHBCV-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.33
Rot. Bonds4

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

1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one (PubChem CID 103451541) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
PubChem CID103451541
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
SMILESCOc1ccc(CC(=O)C(C)O)cc1F
InChIInChI=1S/C11H13FO3/c1-7(13)10(14)6-8-3-4-11(15-2)9(12)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyLGGKKKPZWQHBCV-UHFFFAOYSA-N
XLogP1.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586735
3-amino-1-(3-fluoro-4-methoxyphenyl)-5-methylhexan-2-one
CID 116553429
1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one
CID 116707093
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one
CID 116708613
2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334421
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one
CID 116751347
3-amino-1-(3-fluoro-4-methoxyphenyl)hex-5-yn-2-one
CID 116606481
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691558
1-(3-fluoro-4-methoxyphenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446280
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
CID 62620066

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one (CID 103451541) is 1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one is COc1ccc(CC(=O)C(C)O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one?
The InChIKey is LGGKKKPZWQHBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-7(13)10(14)6-8-3-4-11(15-2)9(12)5-8/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one?
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one has a molecular weight of 212.22 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one is sourced from PubChem (CID 103451541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).