4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile

C16H14FNO — CID 115481703

IUPAC4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile
SMILESCc1cc(F)ccc1C(C)(O)c1ccc(C#N)cc1
InChIInChI=1S/C16H14FNO/c1-11-9-14(17)7-8-15(11)16(2,19)13-5-3-12(10-18)4-6-13/h3-9,19H,1-2H3
InChIKeyYHUKQPCQGDOLHA-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.26
Rot. Bonds2

About 4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile

4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile (PubChem CID 115481703) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile
PubChem CID115481703
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile
SMILESCc1cc(F)ccc1C(C)(O)c1ccc(C#N)cc1
InChIInChI=1S/C16H14FNO/c1-11-9-14(17)7-8-15(11)16(2,19)13-5-3-12(10-18)4-6-13/h3-9,19H,1-2H3
InChIKeyYHUKQPCQGDOLHA-UHFFFAOYSA-N
XLogP3.26
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)ethanol
CID 55116263
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 55116404
1-(4-fluoro-2-methylphenyl)-1-(4-methoxyphenyl)ethanol
CID 62787280
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 62802529
3-[1-(4-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115481471
1-(2,4-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 62802991
3-[1-(2-chloro-5-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 105393988
4-[1-hydroxy-1-(3-methylthiophen-2-yl)ethyl]benzonitrile
CID 113318948
2-(4-fluoro-2-methylphenyl)-2-methylbutanenitrile
CID 130133632
4-[[4-[1-(4-fluorophenyl)-1-hydroxyethyl]-5-methylpyrimidin-2-yl]amino]benzonitrile
CID 86578057
3-[1-(4-fluoro-2-methylphenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 114346981
3-[1-(2,5-dimethylphenyl)-1-hydroxyethyl]benzonitrile
CID 115481441

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile (CID 115481703) is 4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile is Cc1cc(F)ccc1C(C)(O)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile?
The InChIKey is YHUKQPCQGDOLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-11-9-14(17)7-8-15(11)16(2,19)13-5-3-12(10-18)4-6-13/h3-9,19H,1-2H3.
What are the key properties of 4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile?
4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile has a molecular weight of 255.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluoro-2-methylphenyl)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 115481703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).