(E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile

C26H20N2O2 — CID 101032566

IUPAC(E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile
SMILESCOc1ccccc1/C=C(\C#N)c1cccc(/C(C#N)=C\c2ccccc2OC)c1
InChIInChI=1S/C26H20N2O2/c1-29-25-12-5-3-8-21(25)15-23(17-27)19-10-7-11-20(14-19)24(18-28)16-22-9-4-6-13-26(22)30-2/h3-16H,1-2H3/b23-15-,24-16+
InChIKeyHTHNWZUYKBMFLV-REPVBDINSA-N
MW392.46 g/mol
LogP5.83
Rot. Bonds6

About (E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile

(E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile (PubChem CID 101032566) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile
PubChem CID101032566
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name(E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile
SMILESCOc1ccccc1/C=C(\C#N)c1cccc(/C(C#N)=C\c2ccccc2OC)c1
InChIInChI=1S/C26H20N2O2/c1-29-25-12-5-3-8-21(25)15-23(17-27)19-10-7-11-20(14-19)24(18-28)16-22-9-4-6-13-26(22)30-2/h3-16H,1-2H3/b23-15-,24-16+
InChIKeyHTHNWZUYKBMFLV-REPVBDINSA-N
XLogP5.83
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile
CID 2243607
(E)-2-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enenitrile
CID 102248892
(E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 21374748
(E)-2-(3-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 126397411
3-(2-bromo-4,5-dimethoxyphenyl)-2-phenylprop-2-enenitrile
CID 2865718
2-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enenitrile
CID 2975737
(E)-2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enenitrile
CID 912018
3-(4-hydrazinyl-2-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 71438096
(Z)-2-[4-[(Z)-1-cyano-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enenitrile
CID 6005345
(E)-3-(6-methoxy-1,3-benzodioxol-5-yl)-2-phenylprop-2-enenitrile
CID 1082604
(Z)-3-(2-methoxyphenyl)-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 18558310
sodium 2-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzenesulfonate
CID 23705416

Frequently Asked Questions

What is the IUPAC name of (E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile?
The IUPAC name of (E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile (CID 101032566) is (E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile is COc1ccccc1/C=C(\C#N)c1cccc(/C(C#N)=C\c2ccccc2OC)c1.
What is the InChIKey of (E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile?
The InChIKey is HTHNWZUYKBMFLV-REPVBDINSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-29-25-12-5-3-8-21(25)15-23(17-27)19-10-7-11-20(14-19)24(18-28)16-22-9-4-6-13-26(22)30-2/h3-16H,1-2H3/b23-15-,24-16+.
What are the key properties of (E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile?
(E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile has a molecular weight of 392.46 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 101032566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).