4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile

C15H12ClNO2 — CID 53220179

IUPAC4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile
SMILESCCOc1ccc(-c2ccc(C#N)c(O)c2)c(Cl)c1
InChIInChI=1S/C15H12ClNO2/c1-2-19-12-5-6-13(14(16)8-12)10-3-4-11(9-17)15(18)7-10/h3-8,18H,2H2,1H3
InChIKeyWVMMGTYKNHUVQP-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.98
Rot. Bonds3

About 4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile

4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile (PubChem CID 53220179) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile
PubChem CID53220179
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile
SMILESCCOc1ccc(-c2ccc(C#N)c(O)c2)c(Cl)c1
InChIInChI=1S/C15H12ClNO2/c1-2-19-12-5-6-13(14(16)8-12)10-3-4-11(9-17)15(18)7-10/h3-8,18H,2H2,1H3
InChIKeyWVMMGTYKNHUVQP-UHFFFAOYSA-N
XLogP3.98
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile?
The IUPAC name of 4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile (CID 53220179) is 4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile.
What is the SMILES notation for 4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile?
The canonical SMILES for 4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile is CCOc1ccc(-c2ccc(C#N)c(O)c2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile?
The InChIKey is WVMMGTYKNHUVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-2-19-12-5-6-13(14(16)8-12)10-3-4-11(9-17)15(18)7-10/h3-8,18H,2H2,1H3.
What are the key properties of 4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile?
4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-ethoxyphenyl)-2-hydroxybenzonitrile is sourced from PubChem (CID 53220179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).