1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol

C16H12ClFO2 — CID 114723008

IUPAC1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol
SMILESCC(O)(c1cc2cccc(F)c2o1)c1ccccc1Cl
InChIInChI=1S/C16H12ClFO2/c1-16(19,11-6-2-3-7-12(11)17)14-9-10-5-4-8-13(18)15(10)20-14/h2-9,19H,1H3
InChIKeyQTOUHMRMXCZQTQ-UHFFFAOYSA-N
MW290.72 g/mol
LogP4.48
Rot. Bonds2

About 1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol

1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol (PubChem CID 114723008) has the molecular formula C16H12ClFO2 and a molecular weight of 290.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol
PubChem CID114723008
Molecular FormulaC16H12ClFO2
Molecular Weight290.72 g/mol
Exact Mass290.05
IUPAC Name1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol
SMILESCC(O)(c1cc2cccc(F)c2o1)c1ccccc1Cl
InChIInChI=1S/C16H12ClFO2/c1-16(19,11-6-2-3-7-12(11)17)14-9-10-5-4-8-13(18)15(10)20-14/h2-9,19H,1H3
InChIKeyQTOUHMRMXCZQTQ-UHFFFAOYSA-N
XLogP4.48
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol
CID 114910683
2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol
CID 114724331
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 114732727
1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol
CID 114735205
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735426
2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol
CID 114724129
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
3-(7-chloro-1-benzofuran-2-yl)-3-methylbutanoic acid
CID 114735357
2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol
CID 107663435
2-(2-chlorophenyl)propan-2-ol
CID 12759846
2-tert-butyl-1-benzofuran-7-ol
CID 167376192
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 106865191

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol (CID 114723008) is 1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol is CC(O)(c1cc2cccc(F)c2o1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol?
The InChIKey is QTOUHMRMXCZQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFO2/c1-16(19,11-6-2-3-7-12(11)17)14-9-10-5-4-8-13(18)15(10)20-14/h2-9,19H,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol?
1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol has a molecular weight of 290.72 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 114723008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).