2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole

C19H19NO3 — CID 122183837

IUPAC2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole
SMILESCOc1cc(/C=C/c2cc3ccccc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C19H19NO3/c1-21-17-10-13(11-18(22-2)19(17)23-3)8-9-15-12-14-6-4-5-7-16(14)20-15/h4-12,20H,1-3H3/b9-8+
InChIKeyNRQPBQQHZMXPRE-CMDGGOBGSA-N
MW309.37 g/mol
LogP4.36
Rot. Bonds5

About 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole

2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole (PubChem CID 122183837) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole
PubChem CID122183837
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole
SMILESCOc1cc(/C=C/c2cc3ccccc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C19H19NO3/c1-21-17-10-13(11-18(22-2)19(17)23-3)8-9-15-12-14-6-4-5-7-16(14)20-15/h4-12,20H,1-3H3/b9-8+
InChIKeyNRQPBQQHZMXPRE-CMDGGOBGSA-N
XLogP4.36
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 901191
CID 901191
CID 231244
CID 231244
CID 292850
CID 292850
CID 5886965
CID 5886965
CID 57731074
CID 57731074
CID 21129
CID 21129
CID 52914800
CID 52914800
CID 757991
CID 757991
CID 517898
CID 517898
CID 5739621
CID 5739621
CID 9929424
CID 9929424
CID 10181414
CID 10181414

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole?
The IUPAC name of 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole (CID 122183837) is 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole.
What is the SMILES notation for 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole?
The canonical SMILES for 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole is COc1cc(/C=C/c2cc3ccccc3[nH]2)cc(OC)c1OC.
What is the InChIKey of 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole?
The InChIKey is NRQPBQQHZMXPRE-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H19NO3/c1-21-17-10-13(11-18(22-2)19(17)23-3)8-9-15-12-14-6-4-5-7-16(14)20-15/h4-12,20H,1-3H3/b9-8+.
What are the key properties of 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole?
2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole has a molecular weight of 309.37 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-indole is sourced from PubChem (CID 122183837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).