(Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile

C23H19NO — CID 124652517

IUPAC(Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
SMILESCc1ccc(/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C23H19NO/c1-18-11-13-20(14-12-18)22(16-24)15-21-9-5-6-10-23(21)25-17-19-7-3-2-4-8-19/h2-15H,17H2,1H3/b22-15+
InChIKeyXCSUPFBMUNBNEW-PXLXIMEGSA-N
MW325.41 g/mol
LogP5.64
Rot. Bonds5

About (Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile

(Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile (PubChem CID 124652517) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is (Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
PubChem CID124652517
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name(Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
SMILESCc1ccc(/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C23H19NO/c1-18-11-13-20(14-12-18)22(16-24)15-21-9-5-6-10-23(21)25-17-19-7-3-2-4-8-19/h2-15H,17H2,1H3/b22-15+
InChIKeyXCSUPFBMUNBNEW-PXLXIMEGSA-N
XLogP5.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 124652519
4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile
CID 934756
2-(4-chlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
CID 2952464
(E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 21374748
2-benzoyl-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 171156894
2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 21375431
(Z)-3-[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 6103299
(Z)-3-(3,5-dibromo-4-phenylmethoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 124652278
2-(benzenesulfonyl)-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 5043605
4-[(Z)-1-cyano-2-[2-[(4-nitrophenyl)methoxy]phenyl]ethenyl]benzonitrile
CID 1303558
2-(6-methyl-1H-benzimidazol-2-yl)-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 4661969
(E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile
CID 126370031

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile (CID 124652517) is (Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile is Cc1ccc(/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of (Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile?
The InChIKey is XCSUPFBMUNBNEW-PXLXIMEGSA-N. The full InChI is InChI=1S/C23H19NO/c1-18-11-13-20(14-12-18)22(16-24)15-21-9-5-6-10-23(21)25-17-19-7-3-2-4-8-19/h2-15H,17H2,1H3/b22-15+.
What are the key properties of (Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile?
(Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile has a molecular weight of 325.41 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 124652517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).