1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol

C11H14ClNO2 — CID 63091463

IUPAC1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol
SMILESOC1CN(CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C11H14ClNO2/c12-9-1-3-11(4-2-9)15-6-5-13-7-10(14)8-13/h1-4,10,14H,5-8H2
InChIKeyWKMVIYOCIOZFIN-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.40
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol

1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol (PubChem CID 63091463) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol
PubChem CID63091463
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol
SMILESOC1CN(CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C11H14ClNO2/c12-9-1-3-11(4-2-9)15-6-5-13-7-10(14)8-13/h1-4,10,14H,5-8H2
InChIKeyWKMVIYOCIOZFIN-UHFFFAOYSA-N
XLogP1.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol
CID 15575129
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924
2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)ethyl]azetidin-3-yl]ethyl]acetamide
CID 137380416
1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine
CID 63872390
1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62941147
2-[2-(4-chlorophenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235631
1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine
CID 45252246
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 23553296
4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 78962070
N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927795
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol (CID 63091463) is 1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol is OC1CN(CCOc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol?
The InChIKey is WKMVIYOCIOZFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-9-1-3-11(4-2-9)15-6-5-13-7-10(14)8-13/h1-4,10,14H,5-8H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol?
1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol has a molecular weight of 227.69 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol is sourced from PubChem (CID 63091463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).