2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole

C16H14BrNO — CID 117184850

IUPAC2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole
SMILESCc1cccc2[nH]c(COc3cccc(Br)c3)cc12
InChIInChI=1S/C16H14BrNO/c1-11-4-2-7-16-15(11)9-13(18-16)10-19-14-6-3-5-12(17)8-14/h2-9,18H,10H2,1H3
InChIKeyARCOAMNEWHNMRA-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.82
Rot. Bonds3

About 2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole

2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole (PubChem CID 117184850) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole.

Molecular Properties

Compound Name2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole
PubChem CID117184850
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole
SMILESCc1cccc2[nH]c(COc3cccc(Br)c3)cc12
InChIInChI=1S/C16H14BrNO/c1-11-4-2-7-16-15(11)9-13(18-16)10-19-14-6-3-5-12(17)8-14/h2-9,18H,10H2,1H3
InChIKeyARCOAMNEWHNMRA-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

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Related Compounds

2-[(3-bromophenoxy)methyl]-5-methyl-1H-indole
CID 117185390
6-bromo-2-[(3-methylphenoxy)methyl]-1H-indole
CID 117180187
2-(4-methyl-1H-indol-2-yl)ethanamine
CID 28806674
4-methyl-2-(methylsulfonylmethyl)-1H-indole
CID 117184823
2-[2-(3-bromophenoxy)ethoxy]-3-methylbenzaldehyde
CID 115955560
5-[(3-bromophenoxy)methyl]-2-methylphenol
CID 117221825
2-[(3-fluorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117173543
5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
1-bromo-3-ethoxybenzene;ethane
CID 143900364
2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole
CID 117187302
3-[(3-bromophenoxy)methyl]-1H-indol-4-ol
CID 117171332
1-bromo-3-(cyclobuten-1-ylmethoxy)benzene
CID 99992080

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole?
The IUPAC name of 2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole (CID 117184850) is 2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole.
What is the SMILES notation for 2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole?
The canonical SMILES for 2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole is Cc1cccc2[nH]c(COc3cccc(Br)c3)cc12.
What is the InChIKey of 2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole?
The InChIKey is ARCOAMNEWHNMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-11-4-2-7-16-15(11)9-13(18-16)10-19-14-6-3-5-12(17)8-14/h2-9,18H,10H2,1H3.
What are the key properties of 2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole?
2-[(3-bromophenoxy)methyl]-4-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 2-[(3-bromophenoxy)methyl]-4-methyl-1H-indole is sourced from PubChem (CID 117184850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).