1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene

C13H17ClO3 — CID 104674108

IUPAC1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene
SMILESCOCc1cccc(OC2CC(Cl)C2OC)c1
InChIInChI=1S/C13H17ClO3/c1-15-8-9-4-3-5-10(6-9)17-12-7-11(14)13(12)16-2/h3-6,11-13H,7-8H2,1-2H3
InChIKeyDXKDVDCIJMCNBL-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.61
Rot. Bonds5

About 1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene

1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene (PubChem CID 104674108) has the molecular formula C13H17ClO3 and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene
PubChem CID104674108
Molecular FormulaC13H17ClO3
Molecular Weight256.73 g/mol
Exact Mass256.09
IUPAC Name1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene
SMILESCOCc1cccc(OC2CC(Cl)C2OC)c1
InChIInChI=1S/C13H17ClO3/c1-15-8-9-4-3-5-10(6-9)17-12-7-11(14)13(12)16-2/h3-6,11-13H,7-8H2,1-2H3
InChIKeyDXKDVDCIJMCNBL-UHFFFAOYSA-N
XLogP2.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[3-(methoxymethyl)phenoxy]pyrrolidin-3-ol
CID 63986575
1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene
CID 66345395
2-ethoxy-3-[3-(methoxymethyl)phenoxy]-N-propylcyclobutan-1-amine
CID 104676533
3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane
CID 66345392
3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol
CID 63984229
1-(3-chloro-2-methoxycyclobutyl)oxy-4-methylbenzene
CID 104673868
4-(3-chloro-2-methoxycyclobutyl)oxy-2-fluoro-1-methylbenzene
CID 107171631
3-[3-(methoxymethyl)phenoxy]oxan-4-amine
CID 63985960
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylcyclobutan-1-ol
CID 66343338
2-(3-chloro-2-methoxycyclobutyl)oxy-1,3-dimethylbenzene
CID 104673765
1-(3-chloro-2-ethoxycyclobutyl)oxy-3-iodobenzene
CID 104675690
1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene
CID 107942730

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene?
The IUPAC name of 1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene (CID 104674108) is 1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene.
What is the SMILES notation for 1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene?
The canonical SMILES for 1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene is COCc1cccc(OC2CC(Cl)C2OC)c1.
What is the InChIKey of 1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene?
The InChIKey is DXKDVDCIJMCNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO3/c1-15-8-9-4-3-5-10(6-9)17-12-7-11(14)13(12)16-2/h3-6,11-13H,7-8H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene?
1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene has a molecular weight of 256.73 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxycyclobutyl)oxy-3-(methoxymethyl)benzene is sourced from PubChem (CID 104674108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).