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

C12H10BrClO — CID 166962371

IUPAC7-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran
SMILESClC1=CC2=C(CC1)C1=CC=C(Br)CC1O2
InChIInChI=1S/C12H10BrClO/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h1,3,6,11H,2,4-5H2
InChIKeyIANMJFMMZZWBPU-UHFFFAOYSA-N
MW285.57 g/mol
LogP4.16
Rot. Bonds

About 7-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran

7-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran (PubChem CID 166962371) has the molecular formula C12H10BrClO and a molecular weight of 285.57 g/mol. Its IUPAC name is 7-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran.

Molecular Properties

Compound Name7-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran
PubChem CID166962371
Molecular FormulaC12H10BrClO
Molecular Weight285.57 g/mol
Exact Mass283.96
IUPAC Name7-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran
SMILESClC1=CC2=C(CC1)C1=CC=C(Br)CC1O2
InChIInChI=1S/C12H10BrClO/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h1,3,6,11H,2,4-5H2
InChIKeyIANMJFMMZZWBPU-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran?
The IUPAC name of 7-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran (CID 166962371) is 7-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran.
What is the SMILES notation for 7-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran?
The canonical SMILES for 7-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran is ClC1=CC2=C(CC1)C1=CC=C(Br)CC1O2.
What is the InChIKey of 7-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran?
The InChIKey is IANMJFMMZZWBPU-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/h1,3,6,11H,2,4-5H2.
What are the key properties of 7-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran?
7-bromo-3-chloro-1,2,5a,6-tetrahydrodibenzofuran has a molecular weight of 285.57 g/mol, XLogP of 4.16, 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-1,2,5a,6-tetrahydrodibenzofuran is sourced from PubChem (CID 166962371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).