5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile

C14H10FNO2 — CID 53220005

IUPAC5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile
SMILESCOc1ccc(F)c(-c2ccc(O)c(C#N)c2)c1
InChIInChI=1S/C14H10FNO2/c1-18-11-3-4-13(15)12(7-11)9-2-5-14(17)10(6-9)8-16/h2-7,17H,1H3
InChIKeyPPDCDVPAFJSTBI-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.08
Rot. Bonds2

About 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile

5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile (PubChem CID 53220005) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile
PubChem CID53220005
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile
SMILESCOc1ccc(F)c(-c2ccc(O)c(C#N)c2)c1
InChIInChI=1S/C14H10FNO2/c1-18-11-3-4-13(15)12(7-11)9-2-5-14(17)10(6-9)8-16/h2-7,17H,1H3
InChIKeyPPDCDVPAFJSTBI-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 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile?
The IUPAC name of 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile (CID 53220005) is 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile.
What is the SMILES notation for 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile?
The canonical SMILES for 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile is COc1ccc(F)c(-c2ccc(O)c(C#N)c2)c1.
What is the InChIKey of 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile?
The InChIKey is PPDCDVPAFJSTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c1-18-11-3-4-13(15)12(7-11)9-2-5-14(17)10(6-9)8-16/h2-7,17H,1H3.
What are the key properties of 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile?
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile 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 5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile is sourced from PubChem (CID 53220005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).