2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one

C15H14O2 — CID 89284189

IUPAC2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one
SMILESC=C1C(=O)c2ccccc2C2=C1CC(C)(C)O2
InChIInChI=1S/C15H14O2/c1-9-12-8-15(2,3)17-14(12)11-7-5-4-6-10(11)13(9)16/h4-7H,1,8H2,2-3H3
InChIKeyHMDVCHDVFZYJKY-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.35
Rot. Bonds

About 2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one

2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one (PubChem CID 89284189) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one.

Molecular Properties

Compound Name2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one
PubChem CID89284189
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one
SMILESC=C1C(=O)c2ccccc2C2=C1CC(C)(C)O2
InChIInChI=1S/C15H14O2/c1-9-12-8-15(2,3)17-14(12)11-7-5-4-6-10(11)13(9)16/h4-7H,1,8H2,2-3H3
InChIKeyHMDVCHDVFZYJKY-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one?
The IUPAC name of 2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one (CID 89284189) is 2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one.
What is the SMILES notation for 2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one?
The canonical SMILES for 2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one is C=C1C(=O)c2ccccc2C2=C1CC(C)(C)O2.
What is the InChIKey of 2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one?
The InChIKey is HMDVCHDVFZYJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-9-12-8-15(2,3)17-14(12)11-7-5-4-6-10(11)13(9)16/h4-7H,1,8H2,2-3H3.
What are the key properties of 2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one?
2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one has a molecular weight of 226.27 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one is sourced from PubChem (CID 89284189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).