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

C14H10FNO2 — CID 53220839

IUPAC4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile
SMILESCOc1cc(-c2cc(C#N)ccc2F)ccc1O
InChIInChI=1S/C14H10FNO2/c1-18-14-7-10(3-5-13(14)17)11-6-9(8-16)2-4-12(11)15/h2-7,17H,1H3
InChIKeyFKCDJQNOJZTMTC-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.08
Rot. Bonds2

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

4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile (PubChem CID 53220839) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile
PubChem CID53220839
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile
SMILESCOc1cc(-c2cc(C#N)ccc2F)ccc1O
InChIInChI=1S/C14H10FNO2/c1-18-14-7-10(3-5-13(14)17)11-6-9(8-16)2-4-12(11)15/h2-7,17H,1H3
InChIKeyFKCDJQNOJZTMTC-UHFFFAOYSA-N
XLogP3.08
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile?
The IUPAC name of 4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile (CID 53220839) is 4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile.
What is the SMILES notation for 4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile?
The canonical SMILES for 4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile is COc1cc(-c2cc(C#N)ccc2F)ccc1O.
What is the InChIKey of 4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile?
The InChIKey is FKCDJQNOJZTMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c1-18-14-7-10(3-5-13(14)17)11-6-9(8-16)2-4-12(11)15/h2-7,17H,1H3.
What are the key properties of 4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile?
4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile has a molecular weight of 243.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile is sourced from PubChem (CID 53220839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).