1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone

C17H17FO4 — CID 110017843

IUPAC1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone
SMILESCOc1ccc(OCC(O)c2ccccc2F)cc1C(C)=O
InChIInChI=1S/C17H17FO4/c1-11(19)14-9-12(7-8-17(14)21-2)22-10-16(20)13-5-3-4-6-15(13)18/h3-9,16,20H,10H2,1-2H3
InChIKeyBAWWBZJBMRBNAN-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.15
Rot. Bonds6

About 1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone

1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone (PubChem CID 110017843) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone
PubChem CID110017843
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Name1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone
SMILESCOc1ccc(OCC(O)c2ccccc2F)cc1C(C)=O
InChIInChI=1S/C17H17FO4/c1-11(19)14-9-12(7-8-17(14)21-2)22-10-16(20)13-5-3-4-6-15(13)18/h3-9,16,20H,10H2,1-2H3
InChIKeyBAWWBZJBMRBNAN-UHFFFAOYSA-N
XLogP3.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 109414968
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2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol
CID 103865817
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanol
CID 63038192
4-[2-(2-fluorophenyl)-2-hydroxyethoxy]-3-methoxybenzonitrile
CID 110885092
4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one
CID 110885738
2-(3-fluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885745
1-[5-(2-hydroxy-2-methylpropoxy)-2-methoxyphenyl]ethanone
CID 110017847
(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 97243469
2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 110907757
N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide
CID 109416737
1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol
CID 62790142

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone?
The IUPAC name of 1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone (CID 110017843) is 1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone?
The canonical SMILES for 1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone is COc1ccc(OCC(O)c2ccccc2F)cc1C(C)=O.
What is the InChIKey of 1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone?
The InChIKey is BAWWBZJBMRBNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c1-11(19)14-9-12(7-8-17(14)21-2)22-10-16(20)13-5-3-4-6-15(13)18/h3-9,16,20H,10H2,1-2H3.
What are the key properties of 1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone?
1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone has a molecular weight of 304.32 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone is sourced from PubChem (CID 110017843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).