(Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile

C17H15NO2 — CID 10945343

IUPAC(Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile
SMILESCOc1cccc(/C=C(\C#N)c2cccc(OC)c2)c1
InChIInChI=1S/C17H15NO2/c1-19-16-7-3-5-13(10-16)9-15(12-18)14-6-4-8-17(11-14)20-2/h3-11H,1-2H3/b15-9+
InChIKeyOTOIYBZTPYXYHZ-OQLLNIDSSA-N
MW265.31 g/mol
LogP3.77
Rot. Bonds4

About (Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile

(Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile (PubChem CID 10945343) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile
PubChem CID10945343
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile
SMILESCOc1cccc(/C=C(\C#N)c2cccc(OC)c2)c1
InChIInChI=1S/C17H15NO2/c1-19-16-7-3-5-13(10-16)9-15(12-18)14-6-4-8-17(11-14)20-2/h3-11H,1-2H3/b15-9+
InChIKeyOTOIYBZTPYXYHZ-OQLLNIDSSA-N
XLogP3.77
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(3-methoxyphenyl)but-2-enenitrile
CID 10035075
3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 71903547
[3-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl] 2-chloroacetate
CID 39115519
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524
[3-[(E)-2-cyano-2-phenylethenyl]phenyl] 2-methoxybenzoate
CID 39114983
(Z)-2-(6-methoxy-1H-benzimidazol-2-yl)-3-(3-phenoxyphenyl)prop-2-enenitrile
CID 126396585
[3-[(E)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenyl] 2-methylpropanoate
CID 39115300
[4-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 39114663
[3-[(E)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenyl] 2,2-dimethylpropanoate
CID 39115301
(Z)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile
CID 92861139
(Z)-2-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile
CID 86775933
(E)-2,3-bis(3-chlorophenyl)prop-2-enenitrile
CID 696997

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile (CID 10945343) is (Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile is COc1cccc(/C=C(\C#N)c2cccc(OC)c2)c1.
What is the InChIKey of (Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile?
The InChIKey is OTOIYBZTPYXYHZ-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H15NO2/c1-19-16-7-3-5-13(10-16)9-15(12-18)14-6-4-8-17(11-14)20-2/h3-11H,1-2H3/b15-9+.
What are the key properties of (Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile?
(Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile has a molecular weight of 265.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 10945343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).