7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran

C12H10BrClO — CID 166962491

IUPAC7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran
SMILESClC1=Cc2oc3c(c2CC1)=CCC(Br)C=3
InChIInChI=1S/C12H10BrClO/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h3,5-7H,1-2,4H2
InChIKeyPBNFJDPEGOTUOR-UHFFFAOYSA-N
MW285.57 g/mol
LogP2.53
Rot. Bonds

About 7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran

7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran (PubChem CID 166962491) has the molecular formula C12H10BrClO and a molecular weight of 285.57 g/mol. Its IUPAC name is 7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran.

Molecular Properties

Compound Name7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran
PubChem CID166962491
Molecular FormulaC12H10BrClO
Molecular Weight285.57 g/mol
Exact Mass283.96
IUPAC Name7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran
SMILESClC1=Cc2oc3c(c2CC1)=CCC(Br)C=3
InChIInChI=1S/C12H10BrClO/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h3,5-7H,1-2,4H2
InChIKeyPBNFJDPEGOTUOR-UHFFFAOYSA-N
XLogP2.53
TPSA13.14 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 ≤ 52.53
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

7-Bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran
CID 166962371
1-Bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran
CID 167200179
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 7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran?
The IUPAC name of 7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran (CID 166962491) is 7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran.
What is the SMILES notation for 7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran?
The canonical SMILES for 7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran is ClC1=Cc2oc3c(c2CC1)=CCC(Br)C=3.
What is the InChIKey of 7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran?
The InChIKey is PBNFJDPEGOTUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClO/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h3,5-7H,1-2,4H2.
What are the key properties of 7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran?
7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran has a molecular weight of 285.57 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-chloro-1,2,7,8-tetrahydrodibenzofuran is sourced from PubChem (CID 166962491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).