(Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile

C11H11NO2 — CID 82111738

IUPAC(Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C(C#N)=C/O)cc1C
InChIInChI=1S/C11H11NO2/c1-8-5-9(10(6-12)7-13)3-4-11(8)14-2/h3-5,7,13H,1-2H3/b10-7+
InChIKeyWQGZSQHXPAAZIM-JXMROGBWSA-N
MW189.21 g/mol
LogP2.43
Rot. Bonds2

About (Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile

(Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile (PubChem CID 82111738) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile
PubChem CID82111738
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C(C#N)=C/O)cc1C
InChIInChI=1S/C11H11NO2/c1-8-5-9(10(6-12)7-13)3-4-11(8)14-2/h3-5,7,13H,1-2H3/b10-7+
InChIKeyWQGZSQHXPAAZIM-JXMROGBWSA-N
XLogP2.43
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-methylbenzoyl cyanide
CID 116918931
2-(4-methoxy-3-methylphenyl)-2-oxoacetaldehyde
CID 83529774
(E)-3-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxy-3-methylphenyl)prop-2-enenitrile
CID 11558842
(Z)-2-(3,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
CID 12043333
2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 716077
(E)-2-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enenitrile
CID 102248892
2-bromo-4-[2-(4-methoxy-3-methylphenyl)-2-oxoacetyl]benzonitrile
CID 68680087
1-(4-methoxy-3-methylphenyl)prop-2-en-1-one
CID 12610098
3-(4-methoxy-3-methylphenyl)-2-(3-nitrophenyl)prop-2-enenitrile
CID 4273200
4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzonitrile
CID 10401953
sodium (Z)-2-(3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enenitrile
CID 23089833
3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
CID 4282383

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile (CID 82111738) is (Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile is COc1ccc(/C(C#N)=C/O)cc1C.
What is the InChIKey of (Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile?
The InChIKey is WQGZSQHXPAAZIM-JXMROGBWSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-5-9(10(6-12)7-13)3-4-11(8)14-2/h3-5,7,13H,1-2H3/b10-7+.
What are the key properties of (Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile?
(Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile has a molecular weight of 189.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-(4-methoxy-3-methylphenyl)prop-2-enenitrile is sourced from PubChem (CID 82111738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).