1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran

C12H10BrClO — CID 167200179

IUPAC1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran
SMILESClC1=CC2=C(C3=CC=CCC3O2)C(Br)C1
InChIInChI=1S/C12H10BrClO/c13-9-5-7(14)6-11-12(9)8-3-1-2-4-10(8)15-11/h1-3,6,9-10H,4-5H2
InChIKeyOILZUFMWCJGYOW-UHFFFAOYSA-N
MW285.57 g/mol
LogP3.82
Rot. Bonds

About 1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran

1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran (PubChem CID 167200179) has the molecular formula C12H10BrClO and a molecular weight of 285.57 g/mol. Its IUPAC name is 1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran.

Molecular Properties

Compound Name1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran
PubChem CID167200179
Molecular FormulaC12H10BrClO
Molecular Weight285.57 g/mol
Exact Mass283.96
IUPAC Name1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran
SMILESClC1=CC2=C(C3=CC=CCC3O2)C(Br)C1
InChIInChI=1S/C12H10BrClO/c13-9-5-7(14)6-11-12(9)8-3-1-2-4-10(8)15-11/h1-3,6,9-10H,4-5H2
InChIKeyOILZUFMWCJGYOW-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.57
LogP ≤ 53.82
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-Bromo-1,2,4a,8,9,9b-hexahydrodibenzofuran
CID 139297049
7-Bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran
CID 166962371
7-Bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran
CID 166962491
2-Bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran
CID 167200834
1-Bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran
CID 167201259

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran?
The IUPAC name of 1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran (CID 167200179) is 1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran.
What is the SMILES notation for 1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran?
The canonical SMILES for 1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran is ClC1=CC2=C(C3=CC=CCC3O2)C(Br)C1.
What is the InChIKey of 1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran?
The InChIKey is OILZUFMWCJGYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClO/c13-9-5-7(14)6-11-12(9)8-3-1-2-4-10(8)15-11/h1-3,6,9-10H,4-5H2.
What are the key properties of 1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran?
1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran has a molecular weight of 285.57 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran is sourced from PubChem (CID 167200179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).