6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole

C16H14BrNO — CID 117180187

IUPAC6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole
SMILESCc1cccc(OCc2cc3ccc(Br)cc3[nH]2)c1
InChIInChI=1S/C16H14BrNO/c1-11-3-2-4-15(7-11)19-10-14-8-12-5-6-13(17)9-16(12)18-14/h2-9,18H,10H2,1H3
InChIKeyQZXLGCRMCVYMPF-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.82
Rot. Bonds3

About 6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole

6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole (PubChem CID 117180187) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole.

Molecular Properties

Compound Name6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole
PubChem CID117180187
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole
SMILESCc1cccc(OCc2cc3ccc(Br)cc3[nH]2)c1
InChIInChI=1S/C16H14BrNO/c1-11-3-2-4-15(7-11)19-10-14-8-12-5-6-13(17)9-16(12)18-14/h2-9,18H,10H2,1H3
InChIKeyQZXLGCRMCVYMPF-UHFFFAOYSA-N
XLogP4.82
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-2-[(3-methylphenoxy)methyl]-1H-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

2-[(3-bromophenoxy)methyl]-5-methyl-1H-indole
CID 117185390
2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol
CID 117180212
2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole
CID 117184850
2-[(3-methylphenoxy)methyl]-1H-indol-7-amine
CID 117183647
[2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine
CID 117183434
2-[(3-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117180416
2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117180415
2-[(3-fluorophenoxy)methyl]-1H-indole
CID 117173285
2-[(2-fluorophenoxy)methyl]-6-methyl-1H-indole
CID 117185935
5-methyl-2-(pyridin-3-yloxymethyl)-1H-indole
CID 117185410
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
6-bromo-2-(ethylsulfonylmethyl)-1H-indole
CID 117180107

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole?
The IUPAC name of 6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole (CID 117180187) is 6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole.
What is the SMILES notation for 6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole?
The canonical SMILES for 6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole is Cc1cccc(OCc2cc3ccc(Br)cc3[nH]2)c1.
What is the InChIKey of 6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole?
The InChIKey is QZXLGCRMCVYMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-11-3-2-4-15(7-11)19-10-14-8-12-5-6-13(17)9-16(12)18-14/h2-9,18H,10H2,1H3.
What are the key properties of 6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole?
6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole has a molecular weight of 316.20 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole is sourced from PubChem (CID 117180187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).