1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole

C20H21NO3 — CID 11255762

IUPAC1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole
SMILESCOc1cc(/C=C\c2ccc3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C20H21NO3/c1-21-10-9-16-11-14(7-8-17(16)21)5-6-15-12-18(22-2)20(24-4)19(13-15)23-3/h5-13H,1-4H3/b6-5-
InChIKeyLPAPKBFMHBYENM-WAYWQWQTSA-N
MW323.39 g/mol
LogP4.37
Rot. Bonds5

About 1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole

1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole (PubChem CID 11255762) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole.

Molecular Properties

Compound Name1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole
PubChem CID11255762
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole
SMILESCOc1cc(/C=C\c2ccc3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C20H21NO3/c1-21-10-9-16-11-14(7-8-17(16)21)5-6-15-12-18(22-2)20(24-4)19(13-15)23-3/h5-13H,1-4H3/b6-5-
InChIKeyLPAPKBFMHBYENM-WAYWQWQTSA-N
XLogP4.37
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole?
The IUPAC name of 1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole (CID 11255762) is 1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole.
What is the SMILES notation for 1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole?
The canonical SMILES for 1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole is COc1cc(/C=C\c2ccc3c(ccn3C)c2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole?
The InChIKey is LPAPKBFMHBYENM-WAYWQWQTSA-N. The full InChI is InChI=1S/C20H21NO3/c1-21-10-9-16-11-14(7-8-17(16)21)5-6-15-12-18(22-2)20(24-4)19(13-15)23-3/h5-13H,1-4H3/b6-5-.
What are the key properties of 1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole?
1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole has a molecular weight of 323.39 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole is sourced from PubChem (CID 11255762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).