3-(4-chloro-2-methoxyphenoxy)azetidine

C10H12ClNO2 — CID 131025612

IUPAC3-(4-chloro-2-methoxyphenoxy)azetidine
SMILESCOc1cc(Cl)ccc1OC1CNC1
InChIInChI=1S/C10H12ClNO2/c1-13-10-4-7(11)2-3-9(10)14-8-5-12-6-8/h2-4,8,12H,5-6H2,1H3
InChIKeyQFAFAGNXJRYJDH-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.70
Rot. Bonds3

About 3-(4-chloro-2-methoxyphenoxy)azetidine

3-(4-chloro-2-methoxyphenoxy)azetidine (PubChem CID 131025612) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxyphenoxy)azetidine.

Molecular Properties

Compound Name3-(4-chloro-2-methoxyphenoxy)azetidine
PubChem CID131025612
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name3-(4-chloro-2-methoxyphenoxy)azetidine
SMILESCOc1cc(Cl)ccc1OC1CNC1
InChIInChI=1S/C10H12ClNO2/c1-13-10-4-7(11)2-3-9(10)14-8-5-12-6-8/h2-4,8,12H,5-6H2,1H3
InChIKeyQFAFAGNXJRYJDH-UHFFFAOYSA-N
XLogP1.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene
CID 131059149
3-[5-chloro-2-(4-chlorophenoxy)phenoxy]azetidine
CID 46215141
3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine
CID 58405106
3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
CID 58405156
3-(2-bromo-4-methoxyphenoxy)azetidine
CID 53409199
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
(3S)-3-[4-chloro-2-(4-methylphenoxy)phenoxy]pyrrolidine
CID 46216005
3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine
CID 90792059
3-[5-chloro-2-(2-methylphenoxy)phenoxy]azetidine;2,2,2-trifluoroacetic acid
CID 67347020
3-[5-chloro-2-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]azetidine
CID 46214493
3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 141190675
3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine
CID 46204081

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxyphenoxy)azetidine?
The IUPAC name of 3-(4-chloro-2-methoxyphenoxy)azetidine (CID 131025612) is 3-(4-chloro-2-methoxyphenoxy)azetidine.
What is the SMILES notation for 3-(4-chloro-2-methoxyphenoxy)azetidine?
The canonical SMILES for 3-(4-chloro-2-methoxyphenoxy)azetidine is COc1cc(Cl)ccc1OC1CNC1.
What is the InChIKey of 3-(4-chloro-2-methoxyphenoxy)azetidine?
The InChIKey is QFAFAGNXJRYJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-13-10-4-7(11)2-3-9(10)14-8-5-12-6-8/h2-4,8,12H,5-6H2,1H3.
What are the key properties of 3-(4-chloro-2-methoxyphenoxy)azetidine?
3-(4-chloro-2-methoxyphenoxy)azetidine has a molecular weight of 213.66 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxyphenoxy)azetidine is sourced from PubChem (CID 131025612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).