(Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

C19H19NO4 — CID 10568070

IUPAC(Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H19NO4/c1-21-16-7-5-13(6-8-16)9-15(12-20)14-10-17(22-2)19(24-4)18(11-14)23-3/h5-11H,1-4H3/b15-9+
InChIKeyIHKBGXGPWWAEPU-OQLLNIDSSA-N
MW325.36 g/mol
LogP3.79
Rot. Bonds6

About (Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

(Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile (PubChem CID 10568070) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
PubChem CID10568070
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H19NO4/c1-21-16-7-5-13(6-8-16)9-15(12-20)14-10-17(22-2)19(24-4)18(11-14)23-3/h5-11H,1-4H3/b15-9+
InChIKeyIHKBGXGPWWAEPU-OQLLNIDSSA-N
XLogP3.79
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile (CID 10568070) is (Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile is COc1ccc(/C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of (Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
The InChIKey is IHKBGXGPWWAEPU-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H19NO4/c1-21-16-7-5-13(6-8-16)9-15(12-20)14-10-17(22-2)19(24-4)18(11-14)23-3/h5-11H,1-4H3/b15-9+.
What are the key properties of (Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
(Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile has a molecular weight of 325.36 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 10568070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).