(4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone

C18H18ClNO2 — CID 53008478

IUPAC(4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone
SMILESCc1ccc(COC2CN(C(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H18ClNO2/c1-13-2-4-14(5-3-13)12-22-17-10-20(11-17)18(21)15-6-8-16(19)9-7-15/h2-9,17H,10-12H2,1H3
InChIKeySAMMURXZUVWZBF-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.69
Rot. Bonds4

About (4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone

(4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone (PubChem CID 53008478) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone
PubChem CID53008478
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name(4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone
SMILESCc1ccc(COC2CN(C(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H18ClNO2/c1-13-2-4-14(5-3-13)12-22-17-10-20(11-17)18(21)15-6-8-16(19)9-7-15/h2-9,17H,10-12H2,1H3
InChIKeySAMMURXZUVWZBF-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone
CID 53034640
[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 53008498
1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]propan-1-one
CID 53034672
1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one
CID 53034675
(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223338
(4-chlorophenyl)-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 46028668
[4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone
CID 118786113
(3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone
CID 53034757
1-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone
CID 53034628
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone
CID 121451670
2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 39566324

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone (CID 53008478) is (4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone is Cc1ccc(COC2CN(C(=O)c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of (4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone?
The InChIKey is SAMMURXZUVWZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-13-2-4-14(5-3-13)12-22-17-10-20(11-17)18(21)15-6-8-16(19)9-7-15/h2-9,17H,10-12H2,1H3.
What are the key properties of (4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone?
(4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone has a molecular weight of 315.80 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 53008478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).