1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene

C10H9Cl3O — CID 66344254

IUPAC1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene
SMILESClc1cccc(OC2CC(Cl)C2)c1Cl
InChIInChI=1S/C10H9Cl3O/c11-6-4-7(5-6)14-9-3-1-2-8(12)10(9)13/h1-3,6-7H,4-5H2
InChIKeyVJCCFNYCLIACDI-UHFFFAOYSA-N
MW251.54 g/mol
LogP4.14
Rot. Bonds2

About 1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene

1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene (PubChem CID 66344254) has the molecular formula C10H9Cl3O and a molecular weight of 251.54 g/mol. Its IUPAC name is 1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene.

Molecular Properties

Compound Name1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene
PubChem CID66344254
Molecular FormulaC10H9Cl3O
Molecular Weight251.54 g/mol
Exact Mass249.97
IUPAC Name1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene
SMILESClc1cccc(OC2CC(Cl)C2)c1Cl
InChIInChI=1S/C10H9Cl3O/c11-6-4-7(5-6)14-9-3-1-2-8(12)10(9)13/h1-3,6-7H,4-5H2
InChIKeyVJCCFNYCLIACDI-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.54
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloro-3-cyclobutyloxybenzene
CID 130038402
methyl 4-(2,3-dichlorophenoxy)pyrrolidine-2-carboxylate
CID 53410341
1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene
CID 107719168
3-(2-chlorophenoxy)cyclobutan-1-amine
CID 66356902
3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66367122
2-(2,3-dichlorophenoxy)cyclopentan-1-ol
CID 60878793
methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate
CID 134430249
tert-butyl 3-(2,3-dichlorophenoxy)pyrrolidine-1-carboxylate
CID 69451031
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
4-chloro-1-(3-chlorocyclobutyl)oxy-2-methoxybenzene
CID 131059149
1-(2-chloro-6-cyclopropyloxyphenyl)ethanone
CID 144572447
3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 66356998

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene?
The IUPAC name of 1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene (CID 66344254) is 1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene.
What is the SMILES notation for 1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene?
The canonical SMILES for 1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene is Clc1cccc(OC2CC(Cl)C2)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene?
The InChIKey is VJCCFNYCLIACDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O/c11-6-4-7(5-6)14-9-3-1-2-8(12)10(9)13/h1-3,6-7H,4-5H2.
What are the key properties of 1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene?
1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene has a molecular weight of 251.54 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene is sourced from PubChem (CID 66344254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).