1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene

C13H17ClO2 — CID 66345556

IUPAC1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(OC2CC(Cl)C2)cc1
InChIInChI=1S/C13H17ClO2/c1-15-7-6-10-2-4-12(5-3-10)16-13-8-11(14)9-13/h2-5,11,13H,6-9H2,1H3
InChIKeyUTBQHYCVQFJWQM-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.02
Rot. Bonds5

About 1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene

1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene (PubChem CID 66345556) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene.

Molecular Properties

Compound Name1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene
PubChem CID66345556
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(OC2CC(Cl)C2)cc1
InChIInChI=1S/C13H17ClO2/c1-15-7-6-10-2-4-12(5-3-10)16-13-8-11(14)9-13/h2-5,11,13H,6-9H2,1H3
InChIKeyUTBQHYCVQFJWQM-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene?
The IUPAC name of 1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene (CID 66345556) is 1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene.
What is the SMILES notation for 1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene?
The canonical SMILES for 1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene is COCCc1ccc(OC2CC(Cl)C2)cc1.
What is the InChIKey of 1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene?
The InChIKey is UTBQHYCVQFJWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-15-7-6-10-2-4-12(5-3-10)16-13-8-11(14)9-13/h2-5,11,13H,6-9H2,1H3.
What are the key properties of 1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene?
1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene has a molecular weight of 240.73 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclobutyl)oxy-4-(2-methoxyethyl)benzene is sourced from PubChem (CID 66345556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).