7-bromo-5-chloro-2,3-dimethyl-1-benzofuran

C10H8BrClO — CID 70099763

IUPAC7-bromo-5-chloro-2,3-dimethyl-1-benzofuran
SMILESCc1oc2c(Br)cc(Cl)cc2c1C
InChIInChI=1S/C10H8BrClO/c1-5-6(2)13-10-8(5)3-7(12)4-9(10)11/h3-4H,1-2H3
InChIKeyOODIYZQVXDYCAW-UHFFFAOYSA-N
MW259.53 g/mol
LogP4.47
Rot. Bonds

About 7-bromo-5-chloro-2,3-dimethyl-1-benzofuran

7-bromo-5-chloro-2,3-dimethyl-1-benzofuran (PubChem CID 70099763) has the molecular formula C10H8BrClO and a molecular weight of 259.53 g/mol. Its IUPAC name is 7-bromo-5-chloro-2,3-dimethyl-1-benzofuran.

Molecular Properties

Compound Name7-bromo-5-chloro-2,3-dimethyl-1-benzofuran
PubChem CID70099763
Molecular FormulaC10H8BrClO
Molecular Weight259.53 g/mol
Exact Mass257.94
IUPAC Name7-bromo-5-chloro-2,3-dimethyl-1-benzofuran
SMILESCc1oc2c(Br)cc(Cl)cc2c1C
InChIInChI=1S/C10H8BrClO/c1-5-6(2)13-10-8(5)3-7(12)4-9(10)11/h3-4H,1-2H3
InChIKeyOODIYZQVXDYCAW-UHFFFAOYSA-N
XLogP4.47
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-2,3-dimethyl-1-benzofuran?
The IUPAC name of 7-bromo-5-chloro-2,3-dimethyl-1-benzofuran (CID 70099763) is 7-bromo-5-chloro-2,3-dimethyl-1-benzofuran.
What is the SMILES notation for 7-bromo-5-chloro-2,3-dimethyl-1-benzofuran?
The canonical SMILES for 7-bromo-5-chloro-2,3-dimethyl-1-benzofuran is Cc1oc2c(Br)cc(Cl)cc2c1C.
What is the InChIKey of 7-bromo-5-chloro-2,3-dimethyl-1-benzofuran?
The InChIKey is OODIYZQVXDYCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO/c1-5-6(2)13-10-8(5)3-7(12)4-9(10)11/h3-4H,1-2H3.
What are the key properties of 7-bromo-5-chloro-2,3-dimethyl-1-benzofuran?
7-bromo-5-chloro-2,3-dimethyl-1-benzofuran has a molecular weight of 259.53 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-2,3-dimethyl-1-benzofuran is sourced from PubChem (CID 70099763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).