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

C10H11FO3 — CID 82282114

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
SMILESCOc1ccc(CC(=O)CO)cc1F
InChIInChI=1S/C10H11FO3/c1-14-10-3-2-7(5-9(10)11)4-8(13)6-12/h2-3,5,12H,4,6H2,1H3
InChIKeyWQWCYOYIUYWRQW-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.94
Rot. Bonds4

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

1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one (PubChem CID 82282114) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
PubChem CID82282114
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
SMILESCOc1ccc(CC(=O)CO)cc1F
InChIInChI=1S/C10H11FO3/c1-14-10-3-2-7(5-9(10)11)4-8(13)6-12/h2-3,5,12H,4,6H2,1H3
InChIKeyWQWCYOYIUYWRQW-UHFFFAOYSA-N
XLogP0.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
CID 62620066
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130
1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
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1-(3-fluoro-4-methoxyphenyl)-3-(propylamino)propan-2-one
CID 116562712
1-(3-fluoro-4-methoxyphenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446280
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541
1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66052472
N-(2,2-difluoro-3-hydroxypropyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 104858213
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 116557505
1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 116555256
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-hydroxypropan-2-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one (CID 82282114) is 1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one is COc1ccc(CC(=O)CO)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one?
The InChIKey is WQWCYOYIUYWRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-14-10-3-2-7(5-9(10)11)4-8(13)6-12/h2-3,5,12H,4,6H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one?
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one has a molecular weight of 198.19 g/mol, XLogP of 0.94, 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-hydroxypropan-2-one is sourced from PubChem (CID 82282114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).