(Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile

C11H11NO — CID 89222772

IUPAC(Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile
SMILESC/C(C#N)=C/c1ccc(O)c(C)c1
InChIInChI=1S/C11H11NO/c1-8(7-12)5-10-3-4-11(13)9(2)6-10/h3-6,13H,1-2H3/b8-5-
InChIKeyPTZJQJNXZZSPGX-YVMONPNESA-N
MW173.21 g/mol
LogP2.63
Rot. Bonds1

About (Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile

(Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile (PubChem CID 89222772) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile
PubChem CID89222772
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile
SMILESC/C(C#N)=C/c1ccc(O)c(C)c1
InChIInChI=1S/C11H11NO/c1-8(7-12)5-10-3-4-11(13)9(2)6-10/h3-6,13H,1-2H3/b8-5-
InChIKeyPTZJQJNXZZSPGX-YVMONPNESA-N
XLogP2.63
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile (CID 89222772) is (Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile is C/C(C#N)=C/c1ccc(O)c(C)c1.
What is the InChIKey of (Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile?
The InChIKey is PTZJQJNXZZSPGX-YVMONPNESA-N. The full InChI is InChI=1S/C11H11NO/c1-8(7-12)5-10-3-4-11(13)9(2)6-10/h3-6,13H,1-2H3/b8-5-.
What are the key properties of (Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile?
(Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile has a molecular weight of 173.21 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-hydroxy-3-methylphenyl)-2-methylprop-2-enenitrile is sourced from PubChem (CID 89222772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).