1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol

C10H12BrNO2 — CID 121200307

IUPAC1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol
SMILESOc1ccc(Br)cc1CN1CC(O)C1
InChIInChI=1S/C10H12BrNO2/c11-8-1-2-10(14)7(3-8)4-12-5-9(13)6-12/h1-3,9,13-14H,4-6H2
InChIKeyWIMNZMJJUGUSOE-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.33
Rot. Bonds2

About 1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol

1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol (PubChem CID 121200307) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol
PubChem CID121200307
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol
SMILESOc1ccc(Br)cc1CN1CC(O)C1
InChIInChI=1S/C10H12BrNO2/c11-8-1-2-10(14)7(3-8)4-12-5-9(13)6-12/h1-3,9,13-14H,4-6H2
InChIKeyWIMNZMJJUGUSOE-UHFFFAOYSA-N
XLogP1.33
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(4-methylpiperazin-1-yl)methyl]phenol
CID 46840105
2-[(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methyl]-4-bromophenol
CID 104869925
(4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol
CID 159320110
4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
CID 82979917
4-bromo-2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol
CID 82980898
4-bromo-2-[(4-cyclopentylpiperazin-1-yl)methyl]phenol
CID 773084
1-[4-[(5-bromo-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
CID 82974119
4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol
CID 82981617
(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 78963344
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103663267
4-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]phenol
CID 82983101
4-bromo-2-[[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1148389

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol?
The IUPAC name of 1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol (CID 121200307) is 1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol is Oc1ccc(Br)cc1CN1CC(O)C1.
What is the InChIKey of 1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol?
The InChIKey is WIMNZMJJUGUSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-8-1-2-10(14)7(3-8)4-12-5-9(13)6-12/h1-3,9,13-14H,4-6H2.
What are the key properties of 1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol?
1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol has a molecular weight of 258.11 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol is sourced from PubChem (CID 121200307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).