1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one

C11H13FO3 — CID 95441414

IUPAC1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one
SMILESCCOc1ccc(C(=O)CCO)cc1F
InChIInChI=1S/C11H13FO3/c1-2-15-11-4-3-8(7-9(11)12)10(14)5-6-13/h3-4,7,13H,2,5-6H2,1H3
InChIKeyCABRWQUQRUDBQL-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.79
Rot. Bonds5

About 1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one

1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one (PubChem CID 95441414) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one
PubChem CID95441414
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one
SMILESCCOc1ccc(C(=O)CCO)cc1F
InChIInChI=1S/C11H13FO3/c1-2-15-11-4-3-8(7-9(11)12)10(14)5-6-13/h3-4,7,13H,2,5-6H2,1H3
InChIKeyCABRWQUQRUDBQL-UHFFFAOYSA-N
XLogP1.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxy-3-fluorophenyl)-3-oxopropanenitrile
CID 116919053
(E)-3-(4-ethoxy-3-fluorophenyl)but-2-enoic acid
CID 82287324
2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one
CID 82284127
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300
4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide
CID 116847967
3-bromo-1-(4-ethoxy-3-ethylphenyl)propan-1-one
CID 134624962
ethyl 3-(3-ethoxy-4-fluorophenyl)-3-oxopropanoate
CID 90110270
1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110762207
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
(2E,4E)-5-(4-ethoxy-3-fluorophenyl)hexa-2,4-dienoic acid
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1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826759

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one (CID 95441414) is 1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one is CCOc1ccc(C(=O)CCO)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one?
The InChIKey is CABRWQUQRUDBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-2-15-11-4-3-8(7-9(11)12)10(14)5-6-13/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one?
1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one has a molecular weight of 212.22 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one is sourced from PubChem (CID 95441414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).