(E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile

C16H14N2O3 — CID 142292151

IUPAC(E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile
SMILESCOc1cc(/C(O)=C(\C#N)c2ccccn2)cc(C)c1O
InChIInChI=1S/C16H14N2O3/c1-10-7-11(8-14(21-2)15(10)19)16(20)12(9-17)13-5-3-4-6-18-13/h3-8,19-20H,1-2H3/b16-12-
InChIKeyOUPMBNXAJGWAJE-VBKFSLOCSA-N
MW282.30 g/mol
LogP3.05
Rot. Bonds3

About (E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile

(E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 142292151) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile
PubChem CID142292151
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile
SMILESCOc1cc(/C(O)=C(\C#N)c2ccccn2)cc(C)c1O
InChIInChI=1S/C16H14N2O3/c1-10-7-11(8-14(21-2)15(10)19)16(20)12(9-17)13-5-3-4-6-18-13/h3-8,19-20H,1-2H3/b16-12-
InChIKeyOUPMBNXAJGWAJE-VBKFSLOCSA-N
XLogP3.05
TPSA86.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 135993638
3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile
CID 4114741
2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
CID 71697961
3-chloro-3-(3-methoxy-4-methylphenyl)-2-phenylprop-2-enenitrile
CID 76922528
2-pyridin-2-yl-3-(2,4,6-trimethylphenyl)prop-2-enenitrile
CID 3473649
(Z)-3-(3-ethoxy-4-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 7480568
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol
CID 162125121
N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793646
3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 71903547
N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylethanimine
CID 118868171

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile (CID 142292151) is (E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile is COc1cc(/C(O)=C(\C#N)c2ccccn2)cc(C)c1O.
What is the InChIKey of (E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is OUPMBNXAJGWAJE-VBKFSLOCSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10-7-11(8-14(21-2)15(10)19)16(20)12(9-17)13-5-3-4-6-18-13/h3-8,19-20H,1-2H3/b16-12-.
What are the key properties of (E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile?
(E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 282.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 142292151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).