5,6-dichloro-3-methylidene-2-benzofuran-1-one

C9H4Cl2O2 — CID 118463747

IUPAC5,6-dichloro-3-methylidene-2-benzofuran-1-one
SMILESC=C1OC(=O)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C9H4Cl2O2/c1-4-5-2-7(10)8(11)3-6(5)9(12)13-4/h2-3H,1H2
InChIKeyNQWLVGIWNQCBMV-UHFFFAOYSA-N
MW215.03 g/mol
LogP3.13
Rot. Bonds

About 5,6-dichloro-3-methylidene-2-benzofuran-1-one

5,6-dichloro-3-methylidene-2-benzofuran-1-one (PubChem CID 118463747) has the molecular formula C9H4Cl2O2 and a molecular weight of 215.03 g/mol. Its IUPAC name is 5,6-dichloro-3-methylidene-2-benzofuran-1-one.

Molecular Properties

Compound Name5,6-dichloro-3-methylidene-2-benzofuran-1-one
PubChem CID118463747
Molecular FormulaC9H4Cl2O2
Molecular Weight215.03 g/mol
Exact Mass213.96
IUPAC Name5,6-dichloro-3-methylidene-2-benzofuran-1-one
SMILESC=C1OC(=O)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C9H4Cl2O2/c1-4-5-2-7(10)8(11)3-6(5)9(12)13-4/h2-3H,1H2
InChIKeyNQWLVGIWNQCBMV-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.03
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-methylidene-2-benzofuran-1-one?
The IUPAC name of 5,6-dichloro-3-methylidene-2-benzofuran-1-one (CID 118463747) is 5,6-dichloro-3-methylidene-2-benzofuran-1-one.
What is the SMILES notation for 5,6-dichloro-3-methylidene-2-benzofuran-1-one?
The canonical SMILES for 5,6-dichloro-3-methylidene-2-benzofuran-1-one is C=C1OC(=O)c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-3-methylidene-2-benzofuran-1-one?
The InChIKey is NQWLVGIWNQCBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2O2/c1-4-5-2-7(10)8(11)3-6(5)9(12)13-4/h2-3H,1H2.
What are the key properties of 5,6-dichloro-3-methylidene-2-benzofuran-1-one?
5,6-dichloro-3-methylidene-2-benzofuran-1-one has a molecular weight of 215.03 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-methylidene-2-benzofuran-1-one is sourced from PubChem (CID 118463747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).