1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol

C16H13FO2 — CID 114722950

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H13FO2/c1-16(18,12-5-3-2-4-6-12)15-10-11-9-13(17)7-8-14(11)19-15/h2-10,18H,1H3
InChIKeyBKSDWKIIDVRNEZ-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.83
Rot. Bonds2

About 1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol

1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol (PubChem CID 114722950) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
PubChem CID114722950
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H13FO2/c1-16(18,12-5-3-2-4-6-12)15-10-11-9-13(17)7-8-14(11)19-15/h2-10,18H,1H3
InChIKeyBKSDWKIIDVRNEZ-UHFFFAOYSA-N
XLogP3.83
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 114724299
1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol
CID 114724291
2-(5-fluoro-1-benzofuran-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 114832934
1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 114728507
2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735425
2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol
CID 114724338
1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol
CID 114722955
4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733754
1-(5-chloro-1-benzofuran-2-yl)-1-(3-methylphenyl)ethanol
CID 114722975
3-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
CID 114735490
4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile
CID 114724519
1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol
CID 114723015

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol (CID 114722950) is 1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol is CC(O)(c1ccccc1)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol?
The InChIKey is BKSDWKIIDVRNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c1-16(18,12-5-3-2-4-6-12)15-10-11-9-13(17)7-8-14(11)19-15/h2-10,18H,1H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol?
1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol has a molecular weight of 256.28 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol is sourced from PubChem (CID 114722950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).