5-bromo-1-[(4-ethylphenyl)methyl]indole

C17H16BrN — CID 116619733

IUPAC5-bromo-1-[(4-ethylphenyl)methyl]indole
SMILESCCc1ccc(Cn2ccc3cc(Br)ccc32)cc1
InChIInChI=1S/C17H16BrN/c1-2-13-3-5-14(6-4-13)12-19-10-9-15-11-16(18)7-8-17(15)19/h3-11H,2,12H2,1H3
InChIKeyMJXJNVOSJIEZER-UHFFFAOYSA-N
MW314.23 g/mol
LogP5.01
Rot. Bonds3

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

5-bromo-1-[(4-ethylphenyl)methyl]indole (PubChem CID 116619733) has the molecular formula C17H16BrN and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-1-[(4-ethylphenyl)methyl]indole.

Molecular Properties

Compound Name5-bromo-1-[(4-ethylphenyl)methyl]indole
PubChem CID116619733
Molecular FormulaC17H16BrN
Molecular Weight314.23 g/mol
Exact Mass313.05
IUPAC Name5-bromo-1-[(4-ethylphenyl)methyl]indole
SMILESCCc1ccc(Cn2ccc3cc(Br)ccc32)cc1
InChIInChI=1S/C17H16BrN/c1-2-13-3-5-14(6-4-13)12-19-10-9-15-11-16(18)7-8-17(15)19/h3-11H,2,12H2,1H3
InChIKeyMJXJNVOSJIEZER-UHFFFAOYSA-N
XLogP5.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.23
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-ethylphenyl)methyl]indole?
The IUPAC name of 5-bromo-1-[(4-ethylphenyl)methyl]indole (CID 116619733) is 5-bromo-1-[(4-ethylphenyl)methyl]indole.
What is the SMILES notation for 5-bromo-1-[(4-ethylphenyl)methyl]indole?
The canonical SMILES for 5-bromo-1-[(4-ethylphenyl)methyl]indole is CCc1ccc(Cn2ccc3cc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-1-[(4-ethylphenyl)methyl]indole?
The InChIKey is MJXJNVOSJIEZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN/c1-2-13-3-5-14(6-4-13)12-19-10-9-15-11-16(18)7-8-17(15)19/h3-11H,2,12H2,1H3.
What are the key properties of 5-bromo-1-[(4-ethylphenyl)methyl]indole?
5-bromo-1-[(4-ethylphenyl)methyl]indole has a molecular weight of 314.23 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-ethylphenyl)methyl]indole is sourced from PubChem (CID 116619733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).