4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile

C14H10FNO — CID 53218907

IUPAC4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile
SMILESCc1ccc(-c2cc(C#N)ccc2F)cc1O
InChIInChI=1S/C14H10FNO/c1-9-2-4-11(7-14(9)17)12-6-10(8-16)3-5-13(12)15/h2-7,17H,1H3
InChIKeyUCCWJJMJINEJFL-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.38
Rot. Bonds1

About 4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile

4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile (PubChem CID 53218907) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile
PubChem CID53218907
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile
SMILESCc1ccc(-c2cc(C#N)ccc2F)cc1O
InChIInChI=1S/C14H10FNO/c1-9-2-4-11(7-14(9)17)12-6-10(8-16)3-5-13(12)15/h2-7,17H,1H3
InChIKeyUCCWJJMJINEJFL-UHFFFAOYSA-N
XLogP3.38
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile
CID 134423454
4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile
CID 53220839
3-(3,5-dimethylphenyl)-4-fluorobenzonitrile
CID 82115047
3-(4-chlorophenyl)-4-fluorobenzonitrile
CID 82115906
3-(3-hydroxy-4-methylphenyl)benzonitrile
CID 53218797
4-fluoro-3-phenylbenzonitrile
CID 46314741
4-fluoro-3-methylbenzonitrile
CID 2779180
3-(2,5-dimethylphenyl)-4-hydroxybenzonitrile
CID 13415173
3-(4-chloro-2-fluorophenyl)-4-methylbenzonitrile
CID 172914863
3-(3-chloro-5-fluorophenyl)-4-fluorobenzonitrile
CID 172915301
5-(3-fluoro-2-methylphenyl)-2-methylphenol
CID 53218846
4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile
CID 138498827

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile?
The IUPAC name of 4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile (CID 53218907) is 4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile.
What is the SMILES notation for 4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile?
The canonical SMILES for 4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile is Cc1ccc(-c2cc(C#N)ccc2F)cc1O.
What is the InChIKey of 4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile?
The InChIKey is UCCWJJMJINEJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c1-9-2-4-11(7-14(9)17)12-6-10(8-16)3-5-13(12)15/h2-7,17H,1H3.
What are the key properties of 4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile?
4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile has a molecular weight of 227.24 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-hydroxy-4-methylphenyl)benzonitrile is sourced from PubChem (CID 53218907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).