(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone

C10H10ClNO2 — CID 63106751

IUPAC(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CC(O)C1
InChIInChI=1S/C10H10ClNO2/c11-8-3-1-2-7(4-8)10(14)12-5-9(13)6-12/h1-4,9,13H,5-6H2
InChIKeyYLHGLTAQTUWSMG-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.16
Rot. Bonds1

About (3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone

(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 63106751) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID63106751
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CC(O)C1
InChIInChI=1S/C10H10ClNO2/c11-8-3-1-2-7(4-8)10(14)12-5-9(13)6-12/h1-4,9,13H,5-6H2
InChIKeyYLHGLTAQTUWSMG-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-chlorobenzoyl)azetidin-3-yl]acetic acid
CID 64603115
[(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone
CID 98815728
1-[4-[1-(3-chlorobenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579152
(3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 141178418
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
(3S,4R)-1-(3-chlorobenzoyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 166330987
(3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 126825261
N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide
CID 55178587
(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone
CID 110657704
(3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107209964
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone (CID 63106751) is (3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone is O=C(c1cccc(Cl)c1)N1CC(O)C1.
What is the InChIKey of (3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is YLHGLTAQTUWSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-3-1-2-7(4-8)10(14)12-5-9(13)6-12/h1-4,9,13H,5-6H2.
What are the key properties of (3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone?
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 211.65 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 63106751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).