[1-(4-bromophenyl)azetidin-2-yl]methanol

C10H12BrNO — CID 170627419

IUPAC[1-(4-bromophenyl)azetidin-2-yl]methanol
SMILESOCC1CCN1c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO/c11-8-1-3-9(4-2-8)12-6-5-10(12)7-13/h1-4,10,13H,5-7H2
InChIKeyMHBWZXXXEVSPLU-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.02
Rot. Bonds2

About [1-(4-bromophenyl)azetidin-2-yl]methanol

[1-(4-bromophenyl)azetidin-2-yl]methanol (PubChem CID 170627419) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is [1-(4-bromophenyl)azetidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromophenyl)azetidin-2-yl]methanol
PubChem CID170627419
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name[1-(4-bromophenyl)azetidin-2-yl]methanol
SMILESOCC1CCN1c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO/c11-8-1-3-9(4-2-8)12-6-5-10(12)7-13/h1-4,10,13H,5-7H2
InChIKeyMHBWZXXXEVSPLU-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromophenyl)azetidin-2-yl]acetonitrile
CID 170627224
[1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol
CID 89439842
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonic acid
CID 91451326
2-[4-(4-bromophenyl)-1,5-dimethyl-1,4-diazepan-2-yl]ethanol
CID 84608271
4-(4-bromophenyl)-3-(2-hydroxyethyl)-7-methyl-1,4-diazepan-2-one
CID 84608114
2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine
CID 115018339
1-(4-bromophenyl)-2-(nitromethyl)piperidine
CID 134863283
[1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol
CID 88585225
3-[(2R)-4-(4-bromophenyl)-2-(hydroxymethyl)piperazin-1-yl]propanenitrile
CID 170554969
4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol
CID 68535089
2-[1-(4-bromophenyl)piperidin-4-yl]ethanol
CID 117003534
[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol
CID 117021973

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)azetidin-2-yl]methanol?
The IUPAC name of [1-(4-bromophenyl)azetidin-2-yl]methanol (CID 170627419) is [1-(4-bromophenyl)azetidin-2-yl]methanol.
What is the SMILES notation for [1-(4-bromophenyl)azetidin-2-yl]methanol?
The canonical SMILES for [1-(4-bromophenyl)azetidin-2-yl]methanol is OCC1CCN1c1ccc(Br)cc1.
What is the InChIKey of [1-(4-bromophenyl)azetidin-2-yl]methanol?
The InChIKey is MHBWZXXXEVSPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-8-1-3-9(4-2-8)12-6-5-10(12)7-13/h1-4,10,13H,5-7H2.
What are the key properties of [1-(4-bromophenyl)azetidin-2-yl]methanol?
[1-(4-bromophenyl)azetidin-2-yl]methanol has a molecular weight of 242.12 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)azetidin-2-yl]methanol is sourced from PubChem (CID 170627419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).