1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one

C14H18ClNO2 — CID 53034675

IUPAC1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClNO2/c1-10(2)14(17)16-7-13(8-16)18-9-11-3-5-12(15)6-4-11/h3-6,10,13H,7-9H2,1-2H3
InChIKeyVUJAJDYYHPURRF-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.72
Rot. Bonds4

About 1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one

1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one (PubChem CID 53034675) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one
PubChem CID53034675
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClNO2/c1-10(2)14(17)16-7-13(8-16)18-9-11-3-5-12(15)6-4-11/h3-6,10,13H,7-9H2,1-2H3
InChIKeyVUJAJDYYHPURRF-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]propan-1-one
CID 53034672
(4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone
CID 53008478
[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 53008498
(6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26220986
1-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 165172200
2-(dimethylamino)-3-methoxy-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one
CID 166324342
3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine
CID 53089776
2-(2,4-dichlorophenoxy)-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 86813082
(2S)-2-(2,4-dichlorophenoxy)-1-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 99808429
3-[(4-chlorophenyl)methoxy]-1-methylpiperidine
CID 59165688
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one
CID 42844172

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one (CID 53034675) is 1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CC(OCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one?
The InChIKey is VUJAJDYYHPURRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10(2)14(17)16-7-13(8-16)18-9-11-3-5-12(15)6-4-11/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one?
1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one has a molecular weight of 267.76 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 53034675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).