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

C18H17NO2 — CID 25050333

IUPAC5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole
SMILESCOc1cc(/C=C\c2ccc3[nH]ccc3c2)cc(OC)c1
InChIInChI=1S/C18H17NO2/c1-20-16-10-14(11-17(12-16)21-2)4-3-13-5-6-18-15(9-13)7-8-19-18/h3-12,19H,1-2H3/b4-3-
InChIKeyBOAADTAUDWDOAN-ARJAWSKDSA-N
MW279.34 g/mol
LogP4.36
Rot. Bonds4

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

5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole (PubChem CID 25050333) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole
PubChem CID25050333
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole
SMILESCOc1cc(/C=C\c2ccc3[nH]ccc3c2)cc(OC)c1
InChIInChI=1S/C18H17NO2/c1-20-16-10-14(11-17(12-16)21-2)4-3-13-5-6-18-15(9-13)7-8-19-18/h3-12,19H,1-2H3/b4-3-
InChIKeyBOAADTAUDWDOAN-ARJAWSKDSA-N
XLogP4.36
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]-1H-indole?
The IUPAC name of 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole (CID 25050333) is 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole.
What is the SMILES notation for 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole?
The canonical SMILES for 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole is COc1cc(/C=C\c2ccc3[nH]ccc3c2)cc(OC)c1.
What is the InChIKey of 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole?
The InChIKey is BOAADTAUDWDOAN-ARJAWSKDSA-N. The full InChI is InChI=1S/C18H17NO2/c1-20-16-10-14(11-17(12-16)21-2)4-3-13-5-6-18-15(9-13)7-8-19-18/h3-12,19H,1-2H3/b4-3-.
What are the key properties of 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole?
5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole has a molecular weight of 279.34 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole is sourced from PubChem (CID 25050333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).