methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate

C14H17ClO3 — CID 103272729

IUPACmethyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate
SMILESCOC(=O)CC1(Oc2ccc(C)cc2Cl)CCC1
InChIInChI=1S/C14H17ClO3/c1-10-4-5-12(11(15)8-10)18-14(6-3-7-14)9-13(16)17-2/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyOCBIRVYAINKOSB-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.51
Rot. Bonds4

About methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate

methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate (PubChem CID 103272729) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate
PubChem CID103272729
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Namemethyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate
SMILESCOC(=O)CC1(Oc2ccc(C)cc2Cl)CCC1
InChIInChI=1S/C14H17ClO3/c1-10-4-5-12(11(15)8-10)18-14(6-3-7-14)9-13(16)17-2/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyOCBIRVYAINKOSB-UHFFFAOYSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid
CID 103272730
methyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate
CID 103272597
methyl 2-[1-(2-bromo-4-chlorophenoxy)cyclobutyl]acetate
CID 103272407
methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate
CID 103272609
methyl 2-[1-(2-chloro-5-nitrophenoxy)cyclobutyl]acetate
CID 103272752
methyl 2-[1-(3-chloro-4-fluorophenoxy)cyclobutyl]acetate
CID 103272581
methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate
CID 103272401
methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate
CID 103272655
N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273857
4-O-(2-chloro-5-methylphenyl) 1-O-methyl butanedioate
CID 94271897
methyl 2-[1-[(2-chloro-4-methylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107778041
methyl 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]acetate
CID 103272838

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate?
The IUPAC name of methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate (CID 103272729) is methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate is COC(=O)CC1(Oc2ccc(C)cc2Cl)CCC1.
What is the InChIKey of methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate?
The InChIKey is OCBIRVYAINKOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-10-4-5-12(11(15)8-10)18-14(6-3-7-14)9-13(16)17-2/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate?
methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate has a molecular weight of 268.74 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate is sourced from PubChem (CID 103272729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).