2-(3-bromo-4-methoxyphenyl)-1H-indole

C15H12BrNO — CID 82050099

IUPAC2-(3-bromo-4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc3ccccc3[nH]2)cc1Br
InChIInChI=1S/C15H12BrNO/c1-18-15-7-6-11(8-12(15)16)14-9-10-4-2-3-5-13(10)17-14/h2-9,17H,1H3
InChIKeyDFPMKJCXSQYRHV-UHFFFAOYSA-N
MW302.17 g/mol
LogP4.61
Rot. Bonds2

About 2-(3-bromo-4-methoxyphenyl)-1H-indole

2-(3-bromo-4-methoxyphenyl)-1H-indole (PubChem CID 82050099) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1H-indole.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1H-indole
PubChem CID82050099
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc3ccccc3[nH]2)cc1Br
InChIInChI=1S/C15H12BrNO/c1-18-15-7-6-11(8-12(15)16)14-9-10-4-2-3-5-13(10)17-14/h2-9,17H,1H3
InChIKeyDFPMKJCXSQYRHV-UHFFFAOYSA-N
XLogP4.61
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dimethoxyphenyl)-1H-indole
CID 4714964
2-(5-fluoro-2-methoxyphenyl)-1H-indole
CID 82049249
4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one
CID 82094499
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347
4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione
CID 82308460
2-(3,4-diethoxyphenyl)-1H-indole;propan-2-one
CID 70629794
N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 46331646
4-(1H-indol-2-yl)phenol
CID 11287260
5,6-dimethoxy-2-phenyl-1H-indole
CID 4066504
4-(1H-indol-2-yl)benzenethiol;methanol
CID 160504693
2,5-bis(1H-indol-2-yl)phenol
CID 67739555
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1H-indole?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1H-indole (CID 82050099) is 2-(3-bromo-4-methoxyphenyl)-1H-indole.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1H-indole?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1H-indole is COc1ccc(-c2cc3ccccc3[nH]2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1H-indole?
The InChIKey is DFPMKJCXSQYRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c1-18-15-7-6-11(8-12(15)16)14-9-10-4-2-3-5-13(10)17-14/h2-9,17H,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1H-indole?
2-(3-bromo-4-methoxyphenyl)-1H-indole has a molecular weight of 302.17 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1H-indole is sourced from PubChem (CID 82050099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).