3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole

C18H16BrNO2 — CID 25228636

IUPAC3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole
SMILESCO/C(=C\c1ccc(OC)cc1)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C18H16BrNO2/c1-21-13-9-7-12(8-10-13)11-16(22-2)18-17(19)14-5-3-4-6-15(14)20-18/h3-11,20H,1-2H3/b16-11-
InChIKeyBWMWMRUUWLWQAW-WJDWOHSUSA-N
MW358.24 g/mol
LogP5.08
Rot. Bonds4

About 3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole

3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole (PubChem CID 25228636) has the molecular formula C18H16BrNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole
PubChem CID25228636
Molecular FormulaC18H16BrNO2
Molecular Weight358.24 g/mol
Exact Mass357.04
IUPAC Name3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole
SMILESCO/C(=C\c1ccc(OC)cc1)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C18H16BrNO2/c1-21-13-9-7-12(8-10-13)11-16(22-2)18-17(19)14-5-3-4-6-15(14)20-18/h3-11,20H,1-2H3/b16-11-
InChIKeyBWMWMRUUWLWQAW-WJDWOHSUSA-N
XLogP5.08
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.24
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole?
The IUPAC name of 3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole (CID 25228636) is 3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole.
What is the SMILES notation for 3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole?
The canonical SMILES for 3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole is CO/C(=C\c1ccc(OC)cc1)c1[nH]c2ccccc2c1Br.
What is the InChIKey of 3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole?
The InChIKey is BWMWMRUUWLWQAW-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H16BrNO2/c1-21-13-9-7-12(8-10-13)11-16(22-2)18-17(19)14-5-3-4-6-15(14)20-18/h3-11,20H,1-2H3/b16-11-.
What are the key properties of 3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole?
3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole has a molecular weight of 358.24 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1H-indole is sourced from PubChem (CID 25228636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).