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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Related Compounds

3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione
CID 121368252
(3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione
CID 144910651
23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione
CID 123358491
5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
CID 156576329
5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
CID 54291085
33,43-dimethylidene-8,20,32,44-tetraoxa-49,50,51,52-tetrazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1(48),2,4,6(10),11,13,15,17,22,24,26,28(36),29,34,37,39,41,46-octadecaene-7,9,19,21,31,45-hexone
CID 174099703
11,11,22,22-tetramethyl-18-methylidene-6,17-dioxahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-2,4(8),9,13,15(19),20-hexaene-5,7,16-trione
CID 161394033
2,9-dichloro-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 11974757
potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
CID 142056050
[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl] 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
CID 89404579
2-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyethyl 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
CID 146653316
6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione
CID 134285624

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).