2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran

C12H10BrClO — CID 167200834

IUPAC2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran
SMILESClC1=CC(Br)CC2=C1OC1CC=CC=C21
InChIInChI=1S/C12H10BrClO/c13-7-5-9-8-3-1-2-4-11(8)15-12(9)10(14)6-7/h1-3,6-7,11H,4-5H2
InChIKeyCDZZBFUFTWOTNB-UHFFFAOYSA-N
MW285.57 g/mol
LogP3.82
Rot. Bonds

About 2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran

2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran (PubChem CID 167200834) has the molecular formula C12H10BrClO and a molecular weight of 285.57 g/mol. Its IUPAC name is 2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran.

Molecular Properties

Compound Name2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran
PubChem CID167200834
Molecular FormulaC12H10BrClO
Molecular Weight285.57 g/mol
Exact Mass283.96
IUPAC Name2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran
SMILESClC1=CC(Br)CC2=C1OC1CC=CC=C21
InChIInChI=1S/C12H10BrClO/c13-7-5-9-8-3-1-2-4-11(8)15-12(9)10(14)6-7/h1-3,6-7,11H,4-5H2
InChIKeyCDZZBFUFTWOTNB-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
2,3-Dibromo-2,3,4,5-tetrahydro-1-benzofuran
CID 150003622
7-Bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran
CID 166962371
7-Bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran
CID 166962491
1-Bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran
CID 167200179
1-Bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran
CID 167201259
4-bromo-2-[(E)-2-chloroprop-1-enyl]-3-ethenyl-7,7a-dihydro-1-benzofuran
CID 170193342

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran?
The IUPAC name of 2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran (CID 167200834) is 2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran.
What is the SMILES notation for 2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran?
The canonical SMILES for 2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran is ClC1=CC(Br)CC2=C1OC1CC=CC=C21.
What is the InChIKey of 2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran?
The InChIKey is CDZZBFUFTWOTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClO/c13-7-5-9-8-3-1-2-4-11(8)15-12(9)10(14)6-7/h1-3,6-7,11H,4-5H2.
What are the key properties of 2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran?
2-bromo-4-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 2-bromo-4-chloro-1,2,5a,6-tetrahydrodibenzofuran is sourced from PubChem (CID 167200834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).