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

C15H12BrNO2 — CID 117171332

IUPAC3-[(3-bromophenoxy)methyl]-1H-indol-4-ol
SMILESOc1cccc2[nH]cc(COc3cccc(Br)c3)c12
InChIInChI=1S/C15H12BrNO2/c16-11-3-1-4-12(7-11)19-9-10-8-17-13-5-2-6-14(18)15(10)13/h1-8,17-18H,9H2
InChIKeyHHIUUDWJQGWZQG-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.22
Rot. Bonds3

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

3-[(3-bromophenoxy)methyl]-1H-indol-4-ol (PubChem CID 117171332) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 3-[(3-bromophenoxy)methyl]-1H-indol-4-ol.

Molecular Properties

Compound Name3-[(3-bromophenoxy)methyl]-1H-indol-4-ol
PubChem CID117171332
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name3-[(3-bromophenoxy)methyl]-1H-indol-4-ol
SMILESOc1cccc2[nH]cc(COc3cccc(Br)c3)c12
InChIInChI=1S/C15H12BrNO2/c16-11-3-1-4-12(7-11)19-9-10-8-17-13-5-2-6-14(18)15(10)13/h1-8,17-18H,9H2
InChIKeyHHIUUDWJQGWZQG-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-[(4-bromophenoxy)methyl]-1H-indol-4-amine
CID 117171390
4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole
CID 117171335
3-[(4-bromophenoxy)methyl]-1H-indol-6-ol
CID 117178531
3-[(5-fluoro-1H-indol-3-yl)methoxy]phenol
CID 117175120
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole
CID 117171394
3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol
CID 117181938
1-bromo-3-(cyclobuten-1-ylmethoxy)benzene
CID 99992080
3-[[5-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117174903
3-[(7-bromo-1H-indol-3-yl)methoxy]phenol
CID 117181944
5-[(3-bromophenoxy)methyl]-2-methylphenol
CID 117221825
2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol
CID 117182804

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenoxy)methyl]-1H-indol-4-ol?
The IUPAC name of 3-[(3-bromophenoxy)methyl]-1H-indol-4-ol (CID 117171332) is 3-[(3-bromophenoxy)methyl]-1H-indol-4-ol.
What is the SMILES notation for 3-[(3-bromophenoxy)methyl]-1H-indol-4-ol?
The canonical SMILES for 3-[(3-bromophenoxy)methyl]-1H-indol-4-ol is Oc1cccc2[nH]cc(COc3cccc(Br)c3)c12.
What is the InChIKey of 3-[(3-bromophenoxy)methyl]-1H-indol-4-ol?
The InChIKey is HHIUUDWJQGWZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-11-3-1-4-12(7-11)19-9-10-8-17-13-5-2-6-14(18)15(10)13/h1-8,17-18H,9H2.
What are the key properties of 3-[(3-bromophenoxy)methyl]-1H-indol-4-ol?
3-[(3-bromophenoxy)methyl]-1H-indol-4-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-[(3-bromophenoxy)methyl]-1H-indol-4-ol is sourced from PubChem (CID 117171332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).