2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole

C17H14BrNO — CID 11843963

IUPAC2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]c(/C=C/c3ccccc3Br)cc2c1
InChIInChI=1S/C17H14BrNO/c1-20-15-8-9-17-13(11-15)10-14(19-17)7-6-12-4-2-3-5-16(12)18/h2-11,19H,1H3/b7-6+
InChIKeyXJWAOQSHZJSRCS-VOTSOKGWSA-N
MW328.21 g/mol
LogP5.11
Rot. Bonds3

About 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole

2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole (PubChem CID 11843963) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole
PubChem CID11843963
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]c(/C=C/c3ccccc3Br)cc2c1
InChIInChI=1S/C17H14BrNO/c1-20-15-8-9-17-13(11-15)10-14(19-17)7-6-12-4-2-3-5-16(12)18/h2-11,19H,1H3/b7-6+
InChIKeyXJWAOQSHZJSRCS-VOTSOKGWSA-N
XLogP5.11
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.21
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-5-methoxy-1H-indole
CID 131887178
2-ethenyl-5-methoxy-1H-indole
CID 11844226
ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
CID 143581960
ethyl (E)-3-(5-methoxy-1H-indol-2-yl)prop-2-enoate
CID 24741227
1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene
CID 53434856
methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate
CID 54063713
5-methoxy-1H-indole-2-thiol
CID 119094198
6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole
CID 130276818
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole
CID 66573117
3-amino-6-methoxy-1H-quinolin-2-one
CID 115018057
(1E,4E)-1,5-bis(2-bromo-5-methoxyphenyl)penta-1,4-dien-3-one
CID 85469362

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole?
The IUPAC name of 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole (CID 11843963) is 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole.
What is the SMILES notation for 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole?
The canonical SMILES for 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole is COc1ccc2[nH]c(/C=C/c3ccccc3Br)cc2c1.
What is the InChIKey of 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole?
The InChIKey is XJWAOQSHZJSRCS-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-20-15-8-9-17-13(11-15)10-14(19-17)7-6-12-4-2-3-5-16(12)18/h2-11,19H,1H3/b7-6+.
What are the key properties of 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole?
2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole has a molecular weight of 328.21 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole is sourced from PubChem (CID 11843963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).