[1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol

C17H16BrNO2 — CID 102912864

IUPAC[1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol
SMILESCOc1ccc(Cn2ccc3cc(CO)ccc32)cc1Br
InChIInChI=1S/C17H16BrNO2/c1-21-17-5-3-12(9-15(17)18)10-19-7-6-14-8-13(11-20)2-4-16(14)19/h2-9,20H,10-11H2,1H3
InChIKeyQUQJZFXICUHKEW-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.95
Rot. Bonds4

About [1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol

[1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol (PubChem CID 102912864) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is [1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol.

Molecular Properties

Compound Name[1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol
PubChem CID102912864
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name[1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol
SMILESCOc1ccc(Cn2ccc3cc(CO)ccc32)cc1Br
InChIInChI=1S/C17H16BrNO2/c1-21-17-5-3-12(9-15(17)18)10-19-7-6-14-8-13(11-20)2-4-16(14)19/h2-9,20H,10-11H2,1H3
InChIKeyQUQJZFXICUHKEW-UHFFFAOYSA-N
XLogP3.95
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole
CID 116619613
5-bromo-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 116619663
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
1-[(3-bromo-4-methoxyphenyl)methyl]-4-methoxyindole
CID 83165932
2-bromo-5-[(5-methoxyindol-1-yl)methyl]aniline
CID 115557310
1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901962
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 102912614
[1-[(5-methyl-3-pyridinyl)methyl]indol-5-yl]methanol
CID 102912773
1-[(3-bromo-4-methoxyphenyl)methyl]indole-4-carbonitrile
CID 107918956
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
CID 102912856
[1-(4-methoxybutyl)indol-5-yl]methanol
CID 102912647

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol?
The IUPAC name of [1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol (CID 102912864) is [1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol.
What is the SMILES notation for [1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol?
The canonical SMILES for [1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol is COc1ccc(Cn2ccc3cc(CO)ccc32)cc1Br.
What is the InChIKey of [1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol?
The InChIKey is QUQJZFXICUHKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-21-17-5-3-12(9-15(17)18)10-19-7-6-14-8-13(11-20)2-4-16(14)19/h2-9,20H,10-11H2,1H3.
What are the key properties of [1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol?
[1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol has a molecular weight of 346.22 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromo-4-methoxyphenyl)methyl]indol-5-yl]methanol is sourced from PubChem (CID 102912864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).