methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate

C12H13ClO3 — CID 134430249

IUPACmethyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2Cl)C1
InChIInChI=1S/C12H13ClO3/c1-15-12(14)8-6-9(7-8)16-11-5-3-2-4-10(11)13/h2-5,8-9H,6-7H2,1H3
InChIKeyBRLHYXHLLVBNJZ-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.67
Rot. Bonds3

About methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate

methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate (PubChem CID 134430249) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate
PubChem CID134430249
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Namemethyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2Cl)C1
InChIInChI=1S/C12H13ClO3/c1-15-12(14)8-6-9(7-8)16-11-5-3-2-4-10(11)13/h2-5,8-9H,6-7H2,1H3
InChIKeyBRLHYXHLLVBNJZ-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate
CID 139373983
3-(2-chlorophenoxy)cyclobutan-1-amine
CID 66356902
3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol
CID 142323142
3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine
CID 66357505
methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate
CID 139369178
methyl 3-(benzenesulfonyloxy)cyclobutane-1-carboxylate
CID 20505545
methyl 4-(2,3-dichlorophenoxy)pyrrolidine-2-carboxylate
CID 53410341
1-chloro-2-(3-ethylcyclohexyl)oxybenzene
CID 64763442
carbonic acid;4-(2-chlorophenoxy)piperidine
CID 23722971
methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate
CID 139369211
[3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone
CID 134430140
3-(2-chlorophenoxy)azetidine;hydrochloride
CID 66591566

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate (CID 134430249) is methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate is COC(=O)C1CC(Oc2ccccc2Cl)C1.
What is the InChIKey of methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate?
The InChIKey is BRLHYXHLLVBNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-15-12(14)8-6-9(7-8)16-11-5-3-2-4-10(11)13/h2-5,8-9H,6-7H2,1H3.
What are the key properties of methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate?
methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate has a molecular weight of 240.69 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate is sourced from PubChem (CID 134430249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).