methyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate

C17H17ClO3 — CID 103272597

IUPACmethyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate
SMILESCOC(=O)CC1(Oc2ccc(Cl)c3ccccc23)CCC1
InChIInChI=1S/C17H17ClO3/c1-20-16(19)11-17(9-4-10-17)21-15-8-7-14(18)12-5-2-3-6-13(12)15/h2-3,5-8H,4,9-11H2,1H3
InChIKeyMGNCKJOTCHHGDG-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.36
Rot. Bonds4

About methyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate

methyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate (PubChem CID 103272597) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is methyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate
PubChem CID103272597
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Namemethyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate
SMILESCOC(=O)CC1(Oc2ccc(Cl)c3ccccc23)CCC1
InChIInChI=1S/C17H17ClO3/c1-20-16(19)11-17(9-4-10-17)21-15-8-7-14(18)12-5-2-3-6-13(12)15/h2-3,5-8H,4,9-11H2,1H3
InChIKeyMGNCKJOTCHHGDG-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate
CID 103272401
methyl 2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetate
CID 103272729
methyl 2-[1-(2-bromo-4-chlorophenoxy)cyclobutyl]acetate
CID 103272407
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-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate
CID 103272609
methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate
CID 103272655
2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid
CID 103272730
2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid
CID 103272594
methyl 2-[1-[(2-bromophenyl)methoxy]cyclobutyl]acetate
CID 103272835
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
CID 27745141
methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate
CID 103272848

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate?
The IUPAC name of methyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate (CID 103272597) is methyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate is COC(=O)CC1(Oc2ccc(Cl)c3ccccc23)CCC1.
What is the InChIKey of methyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate?
The InChIKey is MGNCKJOTCHHGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-20-16(19)11-17(9-4-10-17)21-15-8-7-14(18)12-5-2-3-6-13(12)15/h2-3,5-8H,4,9-11H2,1H3.
What are the key properties of methyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate?
methyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate has a molecular weight of 304.77 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-chloronaphthalen-1-yl)oxycyclobutyl]acetate is sourced from PubChem (CID 103272597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).