4-bromo-5-methyl-7-phenylmethoxy-1H-indole

C16H14BrNO — CID 59898831

IUPAC4-bromo-5-methyl-7-phenylmethoxy-1H-indole
SMILESCc1cc(OCc2ccccc2)c2[nH]ccc2c1Br
InChIInChI=1S/C16H14BrNO/c1-11-9-14(16-13(15(11)17)7-8-18-16)19-10-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3
InChIKeyODGYNPKZBASOTO-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.82
Rot. Bonds3

About 4-bromo-5-methyl-7-phenylmethoxy-1H-indole

4-bromo-5-methyl-7-phenylmethoxy-1H-indole (PubChem CID 59898831) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-bromo-5-methyl-7-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name4-bromo-5-methyl-7-phenylmethoxy-1H-indole
PubChem CID59898831
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name4-bromo-5-methyl-7-phenylmethoxy-1H-indole
SMILESCc1cc(OCc2ccccc2)c2[nH]ccc2c1Br
InChIInChI=1S/C16H14BrNO/c1-11-9-14(16-13(15(11)17)7-8-18-16)19-10-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3
InChIKeyODGYNPKZBASOTO-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

1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
7-methyl-5-phenylmethoxy-1H-indole
CID 156694720
4-bromo-2-methyl-6-phenylmethoxyaniline
CID 58826330
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
8-methoxy-6-phenylmethoxy-1H-quinolin-4-one
CID 15675252
2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810
4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole
CID 14811705
6-chloro-4-phenylmethoxy-1H-indole
CID 170993763
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
2,3-bis(phenylmethoxy)-1H-pyrrole
CID 67393754
6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 102507798
3-bromo-5-methyl-4-phenylmethoxyaniline
CID 142435992

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-7-phenylmethoxy-1H-indole?
The IUPAC name of 4-bromo-5-methyl-7-phenylmethoxy-1H-indole (CID 59898831) is 4-bromo-5-methyl-7-phenylmethoxy-1H-indole.
What is the SMILES notation for 4-bromo-5-methyl-7-phenylmethoxy-1H-indole?
The canonical SMILES for 4-bromo-5-methyl-7-phenylmethoxy-1H-indole is Cc1cc(OCc2ccccc2)c2[nH]ccc2c1Br.
What is the InChIKey of 4-bromo-5-methyl-7-phenylmethoxy-1H-indole?
The InChIKey is ODGYNPKZBASOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-11-9-14(16-13(15(11)17)7-8-18-16)19-10-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3.
What are the key properties of 4-bromo-5-methyl-7-phenylmethoxy-1H-indole?
4-bromo-5-methyl-7-phenylmethoxy-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 4-bromo-5-methyl-7-phenylmethoxy-1H-indole is sourced from PubChem (CID 59898831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).