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

C16H14BrNO — CID 117183604

IUPAC7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole
SMILESCc1ccccc1OCc1cc2cccc(Br)c2[nH]1
InChIInChI=1S/C16H14BrNO/c1-11-5-2-3-8-15(11)19-10-13-9-12-6-4-7-14(17)16(12)18-13/h2-9,18H,10H2,1H3
InChIKeyIYHSFSUPHXWKEO-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.82
Rot. Bonds3

About 7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole

7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole (PubChem CID 117183604) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole.

Molecular Properties

Compound Name7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole
PubChem CID117183604
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole
SMILESCc1ccccc1OCc1cc2cccc(Br)c2[nH]1
InChIInChI=1S/C16H14BrNO/c1-11-5-2-3-8-15(11)19-10-13-9-12-6-4-7-14(17)16(12)18-13/h2-9,18H,10H2,1H3
InChIKeyIYHSFSUPHXWKEO-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

4-[(7-bromo-1H-indol-2-yl)methoxy]phenol
CID 117183729
7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117182771
7-fluoro-2-[(4-methylphenoxy)methyl]-1H-indole
CID 117183696
3-[(2-bromophenyl)methoxy]-4-methylaniline
CID 43520223
5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole
CID 918344
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
2-[(2-fluorophenoxy)methyl]-6-methyl-1H-indole
CID 117185935
2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117173198
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
1-bromo-4-[(2-methylphenoxy)methyl]-2-nitrobenzene
CID 115557958
1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene
CID 20721268

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole?
The IUPAC name of 7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole (CID 117183604) is 7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole.
What is the SMILES notation for 7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole?
The canonical SMILES for 7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole is Cc1ccccc1OCc1cc2cccc(Br)c2[nH]1.
What is the InChIKey of 7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole?
The InChIKey is IYHSFSUPHXWKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-11-5-2-3-8-15(11)19-10-13-9-12-6-4-7-14(17)16(12)18-13/h2-9,18H,10H2,1H3.
What are the key properties of 7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole?
7-bromo-2-[(2-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 7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole is sourced from PubChem (CID 117183604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).