1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one

C17H16F2O3 — CID 109413353

IUPAC1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C17H16F2O3/c1-2-16(20)11-3-6-13(7-4-11)22-10-17(21)14-9-12(18)5-8-15(14)19/h3-9,17,21H,2,10H2,1H3
InChIKeySRDHMDVBHYTMTM-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.67
Rot. Bonds6

About 1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one

1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one (PubChem CID 109413353) has the molecular formula C17H16F2O3 and a molecular weight of 306.31 g/mol. Its IUPAC name is 1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one
PubChem CID109413353
Molecular FormulaC17H16F2O3
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Name1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C17H16F2O3/c1-2-16(20)11-3-6-13(7-4-11)22-10-17(21)14-9-12(18)5-8-15(14)19/h3-9,17,21H,2,10H2,1H3
InChIKeySRDHMDVBHYTMTM-UHFFFAOYSA-N
XLogP3.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol
CID 109414944
1-(2,5-difluorophenyl)-2-(3,5-dimethoxyphenoxy)ethanol
CID 109415013
2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 115736561
N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide
CID 109416721
1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 109416332
1-(2,5-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412674
1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol
CID 109415459
1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one
CID 114065895
2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 105143838
1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 30057894
methyl 2-methyl-3-(4-propanoylphenoxy)propanoate
CID 43537743
1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol
CID 109412945

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one (CID 109413353) is 1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCC(O)c2cc(F)ccc2F)cc1.
What is the InChIKey of 1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one?
The InChIKey is SRDHMDVBHYTMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O3/c1-2-16(20)11-3-6-13(7-4-11)22-10-17(21)14-9-12(18)5-8-15(14)19/h3-9,17,21H,2,10H2,1H3.
What are the key properties of 1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one?
1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one has a molecular weight of 306.31 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one is sourced from PubChem (CID 109413353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).