4-bromo-1-[(2-methoxyphenyl)methyl]indole

C16H14BrNO — CID 116626014

IUPAC4-bromo-1-[(2-methoxyphenyl)methyl]indole
SMILESCOc1ccccc1Cn1ccc2c(Br)cccc21
InChIInChI=1S/C16H14BrNO/c1-19-16-8-3-2-5-12(16)11-18-10-9-13-14(17)6-4-7-15(13)18/h2-10H,11H2,1H3
InChIKeyDEGNKHSWQINPMT-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.46
Rot. Bonds3

About 4-bromo-1-[(2-methoxyphenyl)methyl]indole

4-bromo-1-[(2-methoxyphenyl)methyl]indole (PubChem CID 116626014) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-bromo-1-[(2-methoxyphenyl)methyl]indole.

Molecular Properties

Compound Name4-bromo-1-[(2-methoxyphenyl)methyl]indole
PubChem CID116626014
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name4-bromo-1-[(2-methoxyphenyl)methyl]indole
SMILESCOc1ccccc1Cn1ccc2c(Br)cccc21
InChIInChI=1S/C16H14BrNO/c1-19-16-8-3-2-5-12(16)11-18-10-9-13-14(17)6-4-7-15(13)18/h2-10H,11H2,1H3
InChIKeyDEGNKHSWQINPMT-UHFFFAOYSA-N
XLogP4.46
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]indole
CID 116625976
methyl 2-[(4-bromoindol-1-yl)methyl]benzoate
CID 82959434
1-[(2-bromophenyl)methyl]-4-propoxyindole
CID 83166128
1-[(3-bromo-4-methoxyphenyl)methyl]-4-methoxyindole
CID 83165932
2-[(4-methoxyindol-1-yl)methyl]benzamide
CID 83165956
4-bromo-1-[[2-chloro-4-(1,3-dioxolan-2-yl)-5-methoxyphenyl]methyl]indole
CID 166905837
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943
1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole
CID 116620241
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile
CID 83174077
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(2-methoxyphenyl)methyl]indole?
The IUPAC name of 4-bromo-1-[(2-methoxyphenyl)methyl]indole (CID 116626014) is 4-bromo-1-[(2-methoxyphenyl)methyl]indole.
What is the SMILES notation for 4-bromo-1-[(2-methoxyphenyl)methyl]indole?
The canonical SMILES for 4-bromo-1-[(2-methoxyphenyl)methyl]indole is COc1ccccc1Cn1ccc2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-[(2-methoxyphenyl)methyl]indole?
The InChIKey is DEGNKHSWQINPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-19-16-8-3-2-5-12(16)11-18-10-9-13-14(17)6-4-7-15(13)18/h2-10H,11H2,1H3.
What are the key properties of 4-bromo-1-[(2-methoxyphenyl)methyl]indole?
4-bromo-1-[(2-methoxyphenyl)methyl]indole has a molecular weight of 316.20 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(2-methoxyphenyl)methyl]indole is sourced from PubChem (CID 116626014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).