3-[(4-bromophenoxy)methyl]-1H-indol-6-ol

C15H12BrNO2 — CID 117178531

IUPAC3-[(4-bromophenoxy)methyl]-1H-indol-6-ol
SMILESOc1ccc2c(COc3ccc(Br)cc3)c[nH]c2c1
InChIInChI=1S/C15H12BrNO2/c16-11-1-4-13(5-2-11)19-9-10-8-17-15-7-12(18)3-6-14(10)15/h1-8,17-18H,9H2
InChIKeyIHIUFTUJHPLGRL-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.22
Rot. Bonds3

About 3-[(4-bromophenoxy)methyl]-1H-indol-6-ol

3-[(4-bromophenoxy)methyl]-1H-indol-6-ol (PubChem CID 117178531) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 3-[(4-bromophenoxy)methyl]-1H-indol-6-ol.

Molecular Properties

Compound Name3-[(4-bromophenoxy)methyl]-1H-indol-6-ol
PubChem CID117178531
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name3-[(4-bromophenoxy)methyl]-1H-indol-6-ol
SMILESOc1ccc2c(COc3ccc(Br)cc3)c[nH]c2c1
InChIInChI=1S/C15H12BrNO2/c16-11-1-4-13(5-2-11)19-9-10-8-17-15-7-12(18)3-6-14(10)15/h1-8,17-18H,9H2
InChIKeyIHIUFTUJHPLGRL-UHFFFAOYSA-N
XLogP4.22
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-hydroxyphenoxy)methyl]-1H-indol-5-ol
CID 117175071
[3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine
CID 117178283
6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117178516
3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 164522928
3-[(4-bromophenoxy)methyl]-1H-indol-4-amine
CID 117171390
2-[(4-bromophenoxy)methyl]-5-methylphenol
CID 117221239
3-[(3-bromophenoxy)methyl]-1H-indol-4-ol
CID 117171332
3-[(5-fluoro-1H-indol-3-yl)methoxy]phenol
CID 117175120
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
3-[2-(dimethoxyamino)ethyl]-1H-indol-6-ol
CID 174323504
3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol
CID 117181938
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenoxy)methyl]-1H-indol-6-ol?
The IUPAC name of 3-[(4-bromophenoxy)methyl]-1H-indol-6-ol (CID 117178531) is 3-[(4-bromophenoxy)methyl]-1H-indol-6-ol.
What is the SMILES notation for 3-[(4-bromophenoxy)methyl]-1H-indol-6-ol?
The canonical SMILES for 3-[(4-bromophenoxy)methyl]-1H-indol-6-ol is Oc1ccc2c(COc3ccc(Br)cc3)c[nH]c2c1.
What is the InChIKey of 3-[(4-bromophenoxy)methyl]-1H-indol-6-ol?
The InChIKey is IHIUFTUJHPLGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-11-1-4-13(5-2-11)19-9-10-8-17-15-7-12(18)3-6-14(10)15/h1-8,17-18H,9H2.
What are the key properties of 3-[(4-bromophenoxy)methyl]-1H-indol-6-ol?
3-[(4-bromophenoxy)methyl]-1H-indol-6-ol has a molecular weight of 318.17 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenoxy)methyl]-1H-indol-6-ol is sourced from PubChem (CID 117178531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).