4-(azetidin-2-ylmethoxy)-3-bromophenol

C10H12BrNO2 — CID 84709333

IUPAC4-(azetidin-2-ylmethoxy)-3-bromophenol
SMILESOc1ccc(OCC2CCN2)c(Br)c1
InChIInChI=1S/C10H12BrNO2/c11-9-5-8(13)1-2-10(9)14-6-7-3-4-12-7/h1-2,5,7,12-13H,3-4,6H2
InChIKeyMIGWVMZVNRVPGL-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.90
Rot. Bonds3

About 4-(azetidin-2-ylmethoxy)-3-bromophenol

4-(azetidin-2-ylmethoxy)-3-bromophenol (PubChem CID 84709333) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 4-(azetidin-2-ylmethoxy)-3-bromophenol.

Molecular Properties

Compound Name4-(azetidin-2-ylmethoxy)-3-bromophenol
PubChem CID84709333
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name4-(azetidin-2-ylmethoxy)-3-bromophenol
SMILESOc1ccc(OCC2CCN2)c(Br)c1
InChIInChI=1S/C10H12BrNO2/c11-9-5-8(13)1-2-10(9)14-6-7-3-4-12-7/h1-2,5,7,12-13H,3-4,6H2
InChIKeyMIGWVMZVNRVPGL-UHFFFAOYSA-N
XLogP1.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-chlorophenoxy)methyl]azetidine
CID 84714468
2-[(4-chloro-2-fluorophenoxy)methyl]azetidine
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4-(azepan-2-ylmethoxy)-3-methylphenol
CID 84698847
3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol
CID 123921405
2-[(2-bromo-4-nitrophenoxy)methyl]piperidine
CID 62348467
(2S)-2-[(2-bromo-4-nitrophenoxy)methyl]piperidine
CID 177197250
3-bromo-4-cyclopentyloxyphenol
CID 68761541
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 102820104
2-[(3-bromo-4-methoxyphenyl)methyl]azetidine
CID 84708784
5-(azetidin-2-ylmethoxy)-2-bromopyridine
CID 22451668
2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine
CID 117495069
3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine
CID 46182395

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-2-ylmethoxy)-3-bromophenol?
The IUPAC name of 4-(azetidin-2-ylmethoxy)-3-bromophenol (CID 84709333) is 4-(azetidin-2-ylmethoxy)-3-bromophenol.
What is the SMILES notation for 4-(azetidin-2-ylmethoxy)-3-bromophenol?
The canonical SMILES for 4-(azetidin-2-ylmethoxy)-3-bromophenol is Oc1ccc(OCC2CCN2)c(Br)c1.
What is the InChIKey of 4-(azetidin-2-ylmethoxy)-3-bromophenol?
The InChIKey is MIGWVMZVNRVPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-9-5-8(13)1-2-10(9)14-6-7-3-4-12-7/h1-2,5,7,12-13H,3-4,6H2.
What are the key properties of 4-(azetidin-2-ylmethoxy)-3-bromophenol?
4-(azetidin-2-ylmethoxy)-3-bromophenol has a molecular weight of 258.11 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-2-ylmethoxy)-3-bromophenol is sourced from PubChem (CID 84709333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).