1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone

C16H20ClNO4 — CID 124588553

IUPAC1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
SMILESO=C(COC[C@H]1CCCO1)N1CC(Oc2ccccc2Cl)C1
InChIInChI=1S/C16H20ClNO4/c17-14-5-1-2-6-15(14)22-13-8-18(9-13)16(19)11-20-10-12-4-3-7-21-12/h1-2,5-6,12-13H,3-4,7-11H2/t12-/m1/s1
InChIKeyLWESUDCKQHIOJE-GFCCVEGCSA-N
MW325.79 g/mol
LogP2.13
Rot. Bonds6

About 1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone

1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone (PubChem CID 124588553) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
PubChem CID124588553
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Name1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
SMILESO=C(COC[C@H]1CCCO1)N1CC(Oc2ccccc2Cl)C1
InChIInChI=1S/C16H20ClNO4/c17-14-5-1-2-6-15(14)22-13-8-18(9-13)16(19)11-20-10-12-4-3-7-21-12/h1-2,5-6,12-13H,3-4,7-11H2/t12-/m1/s1
InChIKeyLWESUDCKQHIOJE-GFCCVEGCSA-N
XLogP2.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone with MolForge

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Related Compounds

1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91797351
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 99971048
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone
CID 141336807
2-(oxolan-2-ylmethoxy)-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
CID 70718982
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 96573319
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95267941
1-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 97096911
1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 95598403
1-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 97128511
1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798272
2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 136531026

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
The IUPAC name of 1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone (CID 124588553) is 1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
The canonical SMILES for 1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone is O=C(COC[C@H]1CCCO1)N1CC(Oc2ccccc2Cl)C1.
What is the InChIKey of 1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
The InChIKey is LWESUDCKQHIOJE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20ClNO4/c17-14-5-1-2-6-15(14)22-13-8-18(9-13)16(19)11-20-10-12-4-3-7-21-12/h1-2,5-6,12-13H,3-4,7-11H2/t12-/m1/s1.
What are the key properties of 1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone has a molecular weight of 325.79 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone is sourced from PubChem (CID 124588553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).