1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol

C16H11ClF2O2 — CID 114724291

IUPAC1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol
SMILESCC(O)(c1cc(F)cc(F)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H11ClF2O2/c1-16(20,10-6-12(18)8-13(19)7-10)15-5-9-4-11(17)2-3-14(9)21-15/h2-8,20H,1H3
InChIKeyOITDBRGJAGJDRG-UHFFFAOYSA-N
MW308.71 g/mol
LogP4.62
Rot. Bonds2

About 1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol

1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol (PubChem CID 114724291) has the molecular formula C16H11ClF2O2 and a molecular weight of 308.71 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol
PubChem CID114724291
Molecular FormulaC16H11ClF2O2
Molecular Weight308.71 g/mol
Exact Mass308.04
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol
SMILESCC(O)(c1cc(F)cc(F)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H11ClF2O2/c1-16(20,10-6-12(18)8-13(19)7-10)15-5-9-4-11(17)2-3-14(9)21-15/h2-8,20H,1H3
InChIKeyOITDBRGJAGJDRG-UHFFFAOYSA-N
XLogP4.62
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.71
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol
CID 114722955
1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol
CID 114723015
1-(5-chloro-1-benzofuran-2-yl)-1-(3-methylphenyl)ethanol
CID 114722975
1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
CID 114722950
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 114724299
1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol
CID 114723050
1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol
CID 114724598
4-(5-chloro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733752
2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol
CID 114724604
2-(5-fluoro-1-benzofuran-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 114832934
ethyl 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoroacetate
CID 114732688
N-tert-butyl-3-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-amine
CID 114735722

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol (CID 114724291) is 1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol is CC(O)(c1cc(F)cc(F)c1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol?
The InChIKey is OITDBRGJAGJDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2O2/c1-16(20,10-6-12(18)8-13(19)7-10)15-5-9-4-11(17)2-3-14(9)21-15/h2-8,20H,1H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol?
1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol has a molecular weight of 308.71 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol is sourced from PubChem (CID 114724291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).