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

C15H12BrNO — CID 175262004

IUPAC1-(3-bromo-4-methoxyphenyl)indole
SMILESCOc1ccc(-n2ccc3ccccc32)cc1Br
InChIInChI=1S/C15H12BrNO/c1-18-15-7-6-12(10-13(15)16)17-9-8-11-4-2-3-5-14(11)17/h2-10H,1H3
InChIKeyYZPMXBHFIVBZAS-UHFFFAOYSA-N
MW302.17 g/mol
LogP4.40
Rot. Bonds2

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

1-(3-bromo-4-methoxyphenyl)indole (PubChem CID 175262004) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)indole.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)indole
PubChem CID175262004
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name1-(3-bromo-4-methoxyphenyl)indole
SMILESCOc1ccc(-n2ccc3ccccc32)cc1Br
InChIInChI=1S/C15H12BrNO/c1-18-15-7-6-12(10-13(15)16)17-9-8-11-4-2-3-5-14(11)17/h2-10H,1H3
InChIKeyYZPMXBHFIVBZAS-UHFFFAOYSA-N
XLogP4.40
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-methoxyphenyl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-3-fluorophenyl)indole
CID 91422915
1-[(3-bromo-4-methoxyphenyl)methyl]indazole
CID 62140207
4-indol-1-yl-5-methoxypyrimidin-2-amine
CID 135203661
1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine
CID 69476818
1-(3-bromo-4-methoxyphenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838359
3-(4-bromo-3-methoxyphenyl)-1H-imidazole-2-thione
CID 82859389
3-indol-1-ylbenzaldehyde
CID 175205647
1-[4-(chloromethyl)phenyl]indole
CID 13021305
2-[N'-(3-indol-1-ylphenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide
CID 140659546
4-bromo-1-methoxy-9-methylcarbazole
CID 171449091
1-(4-bromo-1H-pyrazol-5-yl)indole
CID 18401365
[2-(3,4-dimethoxyphenyl)-1-oxoisoquinolin-8-yl] trifluoromethanesulfonate
CID 142798954

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)indole?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)indole (CID 175262004) is 1-(3-bromo-4-methoxyphenyl)indole.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)indole?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)indole is COc1ccc(-n2ccc3ccccc32)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)indole?
The InChIKey is YZPMXBHFIVBZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c1-18-15-7-6-12(10-13(15)16)17-9-8-11-4-2-3-5-14(11)17/h2-10H,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)indole?
1-(3-bromo-4-methoxyphenyl)indole has a molecular weight of 302.17 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)indole is sourced from PubChem (CID 175262004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).