5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole

C16H13Br2NO — CID 116619613

IUPAC5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole
SMILESCOc1ccc(Cn2ccc3cc(Br)ccc32)cc1Br
InChIInChI=1S/C16H13Br2NO/c1-20-16-5-2-11(8-14(16)18)10-19-7-6-12-9-13(17)3-4-15(12)19/h2-9H,10H2,1H3
InChIKeyFXSODLXBRIZHNG-UHFFFAOYSA-N
MW395.09 g/mol
LogP5.22
Rot. Bonds3

About 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole

5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole (PubChem CID 116619613) has the molecular formula C16H13Br2NO and a molecular weight of 395.09 g/mol. Its IUPAC name is 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole.

Molecular Properties

Compound Name5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole
PubChem CID116619613
Molecular FormulaC16H13Br2NO
Molecular Weight395.09 g/mol
Exact Mass392.94
IUPAC Name5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole
SMILESCOc1ccc(Cn2ccc3cc(Br)ccc32)cc1Br
InChIInChI=1S/C16H13Br2NO/c1-20-16-5-2-11(8-14(16)18)10-19-7-6-12-9-13(17)3-4-15(12)19/h2-9H,10H2,1H3
InChIKeyFXSODLXBRIZHNG-UHFFFAOYSA-N
XLogP5.22
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.09
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 116619663
[1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol
CID 102912864
5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
1-[(3-bromo-4-methoxyphenyl)methyl]-4-methoxyindole
CID 83165932
5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662
2-bromo-5-[(5-methoxyindol-1-yl)methyl]aniline
CID 115557310
5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041480
5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116619644
1-[(3-bromo-4-methoxyphenyl)methyl]indole-4-carbonitrile
CID 107918956

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole?
The IUPAC name of 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole (CID 116619613) is 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole.
What is the SMILES notation for 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole?
The canonical SMILES for 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole is COc1ccc(Cn2ccc3cc(Br)ccc32)cc1Br.
What is the InChIKey of 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole?
The InChIKey is FXSODLXBRIZHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2NO/c1-20-16-5-2-11(8-14(16)18)10-19-7-6-12-9-13(17)3-4-15(12)19/h2-9H,10H2,1H3.
What are the key properties of 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole?
5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole has a molecular weight of 395.09 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole is sourced from PubChem (CID 116619613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).