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

C10H8BrClO2 — CID 134093416

IUPAC7-bromo-5-chloro-2,2-dimethyl-1-benzofuran-3-one
SMILESCC1(C)Oc2c(Br)cc(Cl)cc2C1=O
InChIInChI=1S/C10H8BrClO2/c1-10(2)9(13)6-3-5(12)4-7(11)8(6)14-10/h3-4H,1-2H3
InChIKeyXOXHMKFECLJTER-UHFFFAOYSA-N
MW275.53 g/mol
LogP3.46
Rot. Bonds

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

7-bromo-5-chloro-2,2-dimethyl-1-benzofuran-3-one (PubChem CID 134093416) has the molecular formula C10H8BrClO2 and a molecular weight of 275.53 g/mol. Its IUPAC name is 7-bromo-5-chloro-2,2-dimethyl-1-benzofuran-3-one.

Molecular Properties

Compound Name7-bromo-5-chloro-2,2-dimethyl-1-benzofuran-3-one
PubChem CID134093416
Molecular FormulaC10H8BrClO2
Molecular Weight275.53 g/mol
Exact Mass273.94
IUPAC Name7-bromo-5-chloro-2,2-dimethyl-1-benzofuran-3-one
SMILESCC1(C)Oc2c(Br)cc(Cl)cc2C1=O
InChIInChI=1S/C10H8BrClO2/c1-10(2)9(13)6-3-5(12)4-7(11)8(6)14-10/h3-4H,1-2H3
InChIKeyXOXHMKFECLJTER-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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-2,2-dimethyl-1-benzofuran-3-one?
The IUPAC name of 7-bromo-5-chloro-2,2-dimethyl-1-benzofuran-3-one (CID 134093416) is 7-bromo-5-chloro-2,2-dimethyl-1-benzofuran-3-one.
What is the SMILES notation for 7-bromo-5-chloro-2,2-dimethyl-1-benzofuran-3-one?
The canonical SMILES for 7-bromo-5-chloro-2,2-dimethyl-1-benzofuran-3-one is CC1(C)Oc2c(Br)cc(Cl)cc2C1=O.
What is the InChIKey of 7-bromo-5-chloro-2,2-dimethyl-1-benzofuran-3-one?
The InChIKey is XOXHMKFECLJTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO2/c1-10(2)9(13)6-3-5(12)4-7(11)8(6)14-10/h3-4H,1-2H3.
What are the key properties of 7-bromo-5-chloro-2,2-dimethyl-1-benzofuran-3-one?
7-bromo-5-chloro-2,2-dimethyl-1-benzofuran-3-one has a molecular weight of 275.53 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-2,2-dimethyl-1-benzofuran-3-one is sourced from PubChem (CID 134093416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).