(4-bromophenyl) 3-hydroxyazetidine-1-carboxylate

C10H10BrNO3 — CID 155286419

IUPAC(4-bromophenyl) 3-hydroxyazetidine-1-carboxylate
SMILESO=C(Oc1ccc(Br)cc1)N1CC(O)C1
InChIInChI=1S/C10H10BrNO3/c11-7-1-3-9(4-2-7)15-10(14)12-5-8(13)6-12/h1-4,8,13H,5-6H2
InChIKeyLRAFYZNWNAKQDH-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.62
Rot. Bonds1

About (4-bromophenyl) 3-hydroxyazetidine-1-carboxylate

(4-bromophenyl) 3-hydroxyazetidine-1-carboxylate (PubChem CID 155286419) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is (4-bromophenyl) 3-hydroxyazetidine-1-carboxylate.

Molecular Properties

Compound Name(4-bromophenyl) 3-hydroxyazetidine-1-carboxylate
PubChem CID155286419
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name(4-bromophenyl) 3-hydroxyazetidine-1-carboxylate
SMILESO=C(Oc1ccc(Br)cc1)N1CC(O)C1
InChIInChI=1S/C10H10BrNO3/c11-7-1-3-9(4-2-7)15-10(14)12-5-8(13)6-12/h1-4,8,13H,5-6H2
InChIKeyLRAFYZNWNAKQDH-UHFFFAOYSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 63106235
2-(4-bromophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916938
2-(4-bromophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66261639
(4-bromophenyl) 5-fluoro-1,3-dihydroisoindole-2-carboxylate
CID 90283918
3-(4-bromophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 55131148
(4-bromophenyl) 2-oxopyrrolidine-1-carboxylate
CID 19751527
(6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate
CID 971360
(4-ethylphenyl) 3-aminoazetidine-1-carboxylate
CID 83822345
(4-bromophenyl) cycloprop-2-ene-1-carboxylate
CID 175603214
(4-bromophenyl) pyrazole-1-carboxylate
CID 146272533
phenyl 2-[(4-bromophenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 3112485
2-(4-bromo-2-methylphenyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 110007537

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) 3-hydroxyazetidine-1-carboxylate?
The IUPAC name of (4-bromophenyl) 3-hydroxyazetidine-1-carboxylate (CID 155286419) is (4-bromophenyl) 3-hydroxyazetidine-1-carboxylate.
What is the SMILES notation for (4-bromophenyl) 3-hydroxyazetidine-1-carboxylate?
The canonical SMILES for (4-bromophenyl) 3-hydroxyazetidine-1-carboxylate is O=C(Oc1ccc(Br)cc1)N1CC(O)C1.
What is the InChIKey of (4-bromophenyl) 3-hydroxyazetidine-1-carboxylate?
The InChIKey is LRAFYZNWNAKQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-7-1-3-9(4-2-7)15-10(14)12-5-8(13)6-12/h1-4,8,13H,5-6H2.
What are the key properties of (4-bromophenyl) 3-hydroxyazetidine-1-carboxylate?
(4-bromophenyl) 3-hydroxyazetidine-1-carboxylate has a molecular weight of 272.10 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) 3-hydroxyazetidine-1-carboxylate is sourced from PubChem (CID 155286419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).