4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile

C15H12FNO — CID 115480843

IUPAC4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)Cc2ccccc2F)cc1
InChIInChI=1S/C15H12FNO/c16-14-4-2-1-3-13(14)9-15(18)12-7-5-11(10-17)6-8-12/h1-8,15,18H,9H2
InChIKeyJLRVMMQSIOPBJI-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.97
Rot. Bonds3

About 4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile

4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile (PubChem CID 115480843) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile
PubChem CID115480843
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)Cc2ccccc2F)cc1
InChIInChI=1S/C15H12FNO/c16-14-4-2-1-3-13(14)9-15(18)12-7-5-11(10-17)6-8-12/h1-8,15,18H,9H2
InChIKeyJLRVMMQSIOPBJI-UHFFFAOYSA-N
XLogP2.97
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2,3-difluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115481026
4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile
CID 60899902
2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol
CID 79206674
2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethanol
CID 15650401
1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol
CID 63425921
1-(3-fluoro-4-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 60798295
3-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115481111
2-(2-fluorophenyl)-1-pyridin-3-ylethanol
CID 60797488
4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile
CID 115481022
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol
CID 113336988
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
4-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 115481025

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile (CID 115480843) is 4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile is N#Cc1ccc(C(O)Cc2ccccc2F)cc1.
What is the InChIKey of 4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile?
The InChIKey is JLRVMMQSIOPBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-14-4-2-1-3-13(14)9-15(18)12-7-5-11(10-17)6-8-12/h1-8,15,18H,9H2.
What are the key properties of 4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile?
4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile has a molecular weight of 241.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 115480843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).