4-(2-hydroxyphenyl)-2-methoxybenzonitrile

C14H11NO2 — CID 25093227

IUPAC4-(2-hydroxyphenyl)-2-methoxybenzonitrile
SMILESCOc1cc(-c2ccccc2O)ccc1C#N
InChIInChI=1S/C14H11NO2/c1-17-14-8-10(6-7-11(14)9-15)12-4-2-3-5-13(12)16/h2-8,16H,1H3
InChIKeyLZGNSWNEFCSNST-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.94
Rot. Bonds2

About 4-(2-hydroxyphenyl)-2-methoxybenzonitrile

4-(2-hydroxyphenyl)-2-methoxybenzonitrile (PubChem CID 25093227) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-2-methoxybenzonitrile
PubChem CID25093227
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name4-(2-hydroxyphenyl)-2-methoxybenzonitrile
SMILESCOc1cc(-c2ccccc2O)ccc1C#N
InChIInChI=1S/C14H11NO2/c1-17-14-8-10(6-7-11(14)9-15)12-4-2-3-5-13(12)16/h2-8,16H,1H3
InChIKeyLZGNSWNEFCSNST-UHFFFAOYSA-N
XLogP2.94
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-2-methoxybenzonitrile?
The IUPAC name of 4-(2-hydroxyphenyl)-2-methoxybenzonitrile (CID 25093227) is 4-(2-hydroxyphenyl)-2-methoxybenzonitrile.
What is the SMILES notation for 4-(2-hydroxyphenyl)-2-methoxybenzonitrile?
The canonical SMILES for 4-(2-hydroxyphenyl)-2-methoxybenzonitrile is COc1cc(-c2ccccc2O)ccc1C#N.
What is the InChIKey of 4-(2-hydroxyphenyl)-2-methoxybenzonitrile?
The InChIKey is LZGNSWNEFCSNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-17-14-8-10(6-7-11(14)9-15)12-4-2-3-5-13(12)16/h2-8,16H,1H3.
What are the key properties of 4-(2-hydroxyphenyl)-2-methoxybenzonitrile?
4-(2-hydroxyphenyl)-2-methoxybenzonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-2-methoxybenzonitrile is sourced from PubChem (CID 25093227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).