[4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate

C12H15NO3 — CID 171197397

IUPAC[4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate
SMILESCOc1cc([C@H]2CCN2)ccc1OC(C)=O
InChIInChI=1S/C12H15NO3/c1-8(14)16-11-4-3-9(7-12(11)15-2)10-5-6-13-10/h3-4,7,10,13H,5-6H2,1-2H3/t10-/m1/s1
InChIKeyGGXRIWUBBQWSRB-SNVBAGLBSA-N
MW221.26 g/mol
LogP1.65
Rot. Bonds3

About [4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate

[4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate (PubChem CID 171197397) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is [4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate
PubChem CID171197397
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name[4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate
SMILESCOc1cc([C@H]2CCN2)ccc1OC(C)=O
InChIInChI=1S/C12H15NO3/c1-8(14)16-11-4-3-9(7-12(11)15-2)10-5-6-13-10/h3-4,7,10,13H,5-6H2,1-2H3/t10-/m1/s1
InChIKeyGGXRIWUBBQWSRB-SNVBAGLBSA-N
XLogP1.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride
CID 171195107
[4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate
CID 131531579
[2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride
CID 171194561
[2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate
CID 171252600
(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442
(2S)-2-(4-chloro-3-methoxyphenyl)azetidine
CID 55270648
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
[4-[(1R,3aR,4S,6aS)-4-(4-acetyloxy-3-methoxyphenyl)-3,6-dioxo-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl] acetate
CID 9498525
[4-[4-(4-acetyloxy-3-methoxyphenyl)-3,6-dioxo-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl] acetate
CID 5064558
[2-methoxy-4-(4-methyl-1,3-dioxan-2-yl)phenyl] acetate
CID 154372128
2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine
CID 130043562
4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
CID 171197135

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate (CID 171197397) is [4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate is COc1cc([C@H]2CCN2)ccc1OC(C)=O.
What is the InChIKey of [4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate?
The InChIKey is GGXRIWUBBQWSRB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(14)16-11-4-3-9(7-12(11)15-2)10-5-6-13-10/h3-4,7,10,13H,5-6H2,1-2H3/t10-/m1/s1.
What are the key properties of [4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate?
[4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate has a molecular weight of 221.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 171197397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).