3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile

C22H19NO2 — CID 4282383

IUPAC3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
SMILESCOc1cc(C)c(C=C(C#N)c2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C22H19NO2/c1-15-10-21(24-2)22(25-3)13-19(15)12-20(14-23)18-9-8-16-6-4-5-7-17(16)11-18/h4-13H,1-3H3
InChIKeyMNUJBQSFYHOBBU-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.23
Rot. Bonds4

About 3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile

3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile (PubChem CID 4282383) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
PubChem CID4282383
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
SMILESCOc1cc(C)c(C=C(C#N)c2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C22H19NO2/c1-15-10-21(24-2)22(25-3)13-19(15)12-20(14-23)18-9-8-16-6-4-5-7-17(16)11-18/h4-13H,1-3H3
InChIKeyMNUJBQSFYHOBBU-UHFFFAOYSA-N
XLogP5.23
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.23
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'}

Analyze 3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-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

(Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
CID 118675612
3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
CID 3602948
(E)-2-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enenitrile
CID 102248892
(Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile
CID 177385434
3-(2-methyl-4-piperidin-1-ylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
CID 5095678
(E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile
CID 101032566
3-(2-bromo-4,5-dimethoxyphenyl)-2-phenylprop-2-enenitrile
CID 2865718
(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-[1-(4-methoxyphenyl)pyrrol-2-yl]-2-naphthalen-2-ylprop-2-enenitrile
CID 3604436
2-(4-bromophenyl)-3-[4-[2-(4-bromophenyl)-2-cyanoethenyl]-2,5-dimethoxyphenyl]prop-2-enenitrile
CID 118471873
(Z)-2-[4-[(Z)-1-cyano-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enenitrile
CID 6005345

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile?
The IUPAC name of 3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile (CID 4282383) is 3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile.
What is the SMILES notation for 3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile?
The canonical SMILES for 3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile is COc1cc(C)c(C=C(C#N)c2ccc3ccccc3c2)cc1OC.
What is the InChIKey of 3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile?
The InChIKey is MNUJBQSFYHOBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-15-10-21(24-2)22(25-3)13-19(15)12-20(14-23)18-9-8-16-6-4-5-7-17(16)11-18/h4-13H,1-3H3.
What are the key properties of 3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile?
3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile has a molecular weight of 329.40 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile is sourced from PubChem (CID 4282383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).