4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene

C11H12Cl2O2 — CID 131059149

IUPAC4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene
SMILESCOc1cc(Cl)ccc1OC1CC(Cl)C1
InChIInChI=1S/C11H12Cl2O2/c1-14-11-6-7(12)2-3-10(11)15-9-4-8(13)5-9/h2-3,6,8-9H,4-5H2,1H3
InChIKeyQLWZTHYQESMAPR-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.50
Rot. Bonds3

About 4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene

4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene (PubChem CID 131059149) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene.

Molecular Properties

Compound Name4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene
PubChem CID131059149
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene
SMILESCOc1cc(Cl)ccc1OC1CC(Cl)C1
InChIInChI=1S/C11H12Cl2O2/c1-14-11-6-7(12)2-3-10(11)15-9-4-8(13)5-9/h2-3,6,8-9H,4-5H2,1H3
InChIKeyQLWZTHYQESMAPR-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 175597573
(4-chloro-2-methoxyphenyl) acetate
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methyl 5-chloro-2-cyclopropyloxybenzoate
CID 66846877
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4-bromo-1-(3-chlorocyclobutyl)oxy-2-methylbenzene
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4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene
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3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine
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(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene?
The IUPAC name of 4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene (CID 131059149) is 4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene.
What is the SMILES notation for 4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene?
The canonical SMILES for 4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene is COc1cc(Cl)ccc1OC1CC(Cl)C1.
What is the InChIKey of 4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene?
The InChIKey is QLWZTHYQESMAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-14-11-6-7(12)2-3-10(11)15-9-4-8(13)5-9/h2-3,6,8-9H,4-5H2,1H3.
What are the key properties of 4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene?
4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene has a molecular weight of 247.12 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene is sourced from PubChem (CID 131059149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).