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

C10H9Br2ClO — CID 66345084

IUPAC1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene
SMILESClC1CC(Oc2c(Br)cccc2Br)C1
InChIInChI=1S/C10H9Br2ClO/c11-8-2-1-3-9(12)10(8)14-7-4-6(13)5-7/h1-3,6-7H,4-5H2
InChIKeyDYGOGXZVGQRMNY-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.36
Rot. Bonds2

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

1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene (PubChem CID 66345084) has the molecular formula C10H9Br2ClO and a molecular weight of 340.44 g/mol. Its IUPAC name is 1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene.

Molecular Properties

Compound Name1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene
PubChem CID66345084
Molecular FormulaC10H9Br2ClO
Molecular Weight340.44 g/mol
Exact Mass337.87
IUPAC Name1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene
SMILESClC1CC(Oc2c(Br)cccc2Br)C1
InChIInChI=1S/C10H9Br2ClO/c11-8-2-1-3-9(12)10(8)14-7-4-6(13)5-7/h1-3,6-7H,4-5H2
InChIKeyDYGOGXZVGQRMNY-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dibromo-2-(3-chlorocyclobutyl)oxybenzene?
The IUPAC name of 1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene (CID 66345084) is 1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene.
What is the SMILES notation for 1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene?
The canonical SMILES for 1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene is ClC1CC(Oc2c(Br)cccc2Br)C1.
What is the InChIKey of 1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene?
The InChIKey is DYGOGXZVGQRMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2ClO/c11-8-2-1-3-9(12)10(8)14-7-4-6(13)5-7/h1-3,6-7H,4-5H2.
What are the key properties of 1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene?
1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene has a molecular weight of 340.44 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene is sourced from PubChem (CID 66345084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).