3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile

C15H13NO — CID 134423454

IUPAC3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile
SMILESCc1cc(-c2cc(C#N)ccc2C)ccc1O
InChIInChI=1S/C15H13NO/c1-10-3-4-12(9-16)8-14(10)13-5-6-15(17)11(2)7-13/h3-8,17H,1-2H3
InChIKeyLWQCPNOXWZCSPG-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.55
Rot. Bonds1

About 3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile

3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile (PubChem CID 134423454) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile
PubChem CID134423454
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile
SMILESCc1cc(-c2cc(C#N)ccc2C)ccc1O
InChIInChI=1S/C15H13NO/c1-10-3-4-12(9-16)8-14(10)13-5-6-15(17)11(2)7-13/h3-8,17H,1-2H3
InChIKeyLWQCPNOXWZCSPG-UHFFFAOYSA-N
XLogP3.55
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile?
The IUPAC name of 3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile (CID 134423454) is 3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile.
What is the SMILES notation for 3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile?
The canonical SMILES for 3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile is Cc1cc(-c2cc(C#N)ccc2C)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile?
The InChIKey is LWQCPNOXWZCSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-3-4-12(9-16)8-14(10)13-5-6-15(17)11(2)7-13/h3-8,17H,1-2H3.
What are the key properties of 3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile?
3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile has a molecular weight of 223.27 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methylphenyl)-4-methylbenzonitrile is sourced from PubChem (CID 134423454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).