5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole

C19H19NO2 — CID 25050336

IUPAC5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole
SMILESCOc1cc(/C=C\c2ccc3c(ccn3C)c2)cc(OC)c1
InChIInChI=1S/C19H19NO2/c1-20-9-8-16-10-14(6-7-19(16)20)4-5-15-11-17(21-2)13-18(12-15)22-3/h4-13H,1-3H3/b5-4-
InChIKeyNFMOFRZUFAIFPL-PLNGDYQASA-N
MW293.37 g/mol
LogP4.37
Rot. Bonds4

About 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole

5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole (PubChem CID 25050336) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole.

Molecular Properties

Compound Name5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole
PubChem CID25050336
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole
SMILESCOc1cc(/C=C\c2ccc3c(ccn3C)c2)cc(OC)c1
InChIInChI=1S/C19H19NO2/c1-20-9-8-16-10-14(6-7-19(16)20)4-5-15-11-17(21-2)13-18(12-15)22-3/h4-13H,1-3H3/b5-4-
InChIKeyNFMOFRZUFAIFPL-PLNGDYQASA-N
XLogP4.37
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole?
The IUPAC name of 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole (CID 25050336) is 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole.
What is the SMILES notation for 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole?
The canonical SMILES for 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole is COc1cc(/C=C\c2ccc3c(ccn3C)c2)cc(OC)c1.
What is the InChIKey of 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole?
The InChIKey is NFMOFRZUFAIFPL-PLNGDYQASA-N. The full InChI is InChI=1S/C19H19NO2/c1-20-9-8-16-10-14(6-7-19(16)20)4-5-15-11-17(21-2)13-18(12-15)22-3/h4-13H,1-3H3/b5-4-.
What are the key properties of 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole?
5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole has a molecular weight of 293.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole is sourced from PubChem (CID 25050336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).