7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one

C10H8BrClO2 — CID 64661205

IUPAC7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one
SMILESCCC1Oc2c(Br)cc(Cl)cc2C1=O
InChIInChI=1S/C10H8BrClO2/c1-2-8-9(13)6-3-5(12)4-7(11)10(6)14-8/h3-4,8H,2H2,1H3
InChIKeyHOXBEWIRDWCZEM-UHFFFAOYSA-N
MW275.53 g/mol
LogP3.46
Rot. Bonds1

About 7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one

7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one (PubChem CID 64661205) has the molecular formula C10H8BrClO2 and a molecular weight of 275.53 g/mol. Its IUPAC name is 7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one.

Molecular Properties

Compound Name7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one
PubChem CID64661205
Molecular FormulaC10H8BrClO2
Molecular Weight275.53 g/mol
Exact Mass273.94
IUPAC Name7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one
SMILESCCC1Oc2c(Br)cc(Cl)cc2C1=O
InChIInChI=1S/C10H8BrClO2/c1-2-8-9(13)6-3-5(12)4-7(11)10(6)14-8/h3-4,8H,2H2,1H3
InChIKeyHOXBEWIRDWCZEM-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one?
The IUPAC name of 7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one (CID 64661205) is 7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one.
What is the SMILES notation for 7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one?
The canonical SMILES for 7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one is CCC1Oc2c(Br)cc(Cl)cc2C1=O.
What is the InChIKey of 7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one?
The InChIKey is HOXBEWIRDWCZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO2/c1-2-8-9(13)6-3-5(12)4-7(11)10(6)14-8/h3-4,8H,2H2,1H3.
What are the key properties of 7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one?
7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one has a molecular weight of 275.53 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one is sourced from PubChem (CID 64661205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).