4-(4-hydroxyphenyl)-3-methylbenzonitrile

C14H11NO — CID 22274632

IUPAC4-(4-hydroxyphenyl)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1ccc(O)cc1
InChIInChI=1S/C14H11NO/c1-10-8-11(9-15)2-7-14(10)12-3-5-13(16)6-4-12/h2-8,16H,1H3
InChIKeyKVBAHALKLZAEMT-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.24
Rot. Bonds1

About 4-(4-hydroxyphenyl)-3-methylbenzonitrile

4-(4-hydroxyphenyl)-3-methylbenzonitrile (PubChem CID 22274632) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-3-methylbenzonitrile
PubChem CID22274632
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name4-(4-hydroxyphenyl)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1ccc(O)cc1
InChIInChI=1S/C14H11NO/c1-10-8-11(9-15)2-7-14(10)12-3-5-13(16)6-4-12/h2-8,16H,1H3
InChIKeyKVBAHALKLZAEMT-UHFFFAOYSA-N
XLogP3.24
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-3-methylbenzonitrile?
The IUPAC name of 4-(4-hydroxyphenyl)-3-methylbenzonitrile (CID 22274632) is 4-(4-hydroxyphenyl)-3-methylbenzonitrile.
What is the SMILES notation for 4-(4-hydroxyphenyl)-3-methylbenzonitrile?
The canonical SMILES for 4-(4-hydroxyphenyl)-3-methylbenzonitrile is Cc1cc(C#N)ccc1-c1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-3-methylbenzonitrile?
The InChIKey is KVBAHALKLZAEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-10-8-11(9-15)2-7-14(10)12-3-5-13(16)6-4-12/h2-8,16H,1H3.
What are the key properties of 4-(4-hydroxyphenyl)-3-methylbenzonitrile?
4-(4-hydroxyphenyl)-3-methylbenzonitrile has a molecular weight of 209.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-3-methylbenzonitrile is sourced from PubChem (CID 22274632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).