(3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

C12H14ClNO2 — CID 81323896

IUPAC(3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)N2CC(C)(O)C2)c1
InChIInChI=1S/C12H14ClNO2/c1-8-3-9(5-10(13)4-8)11(15)14-6-12(2,16)7-14/h3-5,16H,6-7H2,1-2H3
InChIKeyLYPMDCGWCOCSQS-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.86
Rot. Bonds1

About (3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

(3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (PubChem CID 81323896) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
PubChem CID81323896
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)N2CC(C)(O)C2)c1
InChIInChI=1S/C12H14ClNO2/c1-8-3-9(5-10(13)4-8)11(15)14-6-12(2,16)7-14/h3-5,16H,6-7H2,1-2H3
InChIKeyLYPMDCGWCOCSQS-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812651
(3-chloro-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406073
1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528177
(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113249178
(4-bromopiperidin-1-yl)-(3-chloro-5-methylphenyl)methanone
CID 81324253
1-(3-chloro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162389
(3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821779
1-(3-chloro-5-methylbenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 81322982
4-(3-chloro-5-methylbenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 81324047
[4-(2-bromoethyl)piperazin-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 81324659
(3-bromo-5-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113463392
2-[4-(3-chloro-5-methylbenzoyl)piperazin-1-yl]propanenitrile
CID 81323569

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of (3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (CID 81323896) is (3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for (3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is Cc1cc(Cl)cc(C(=O)N2CC(C)(O)C2)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The InChIKey is LYPMDCGWCOCSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-8-3-9(5-10(13)4-8)11(15)14-6-12(2,16)7-14/h3-5,16H,6-7H2,1-2H3.
What are the key properties of (3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
(3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone has a molecular weight of 239.70 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 81323896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).