5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione

C16H14O3 — CID 122218623

IUPAC5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione
SMILESC=C1COCCC2=C(C1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H14O3/c1-10-8-14-13(6-7-19-9-10)15(17)11-4-2-3-5-12(11)16(14)18/h2-5H,1,6-9H2
InChIKeyUSTGOPIUCZYGRH-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.73
Rot. Bonds

About 5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione

5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione (PubChem CID 122218623) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione.

Molecular Properties

Compound Name5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione
PubChem CID122218623
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione
SMILESC=C1COCCC2=C(C1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H14O3/c1-10-8-14-13(6-7-19-9-10)15(17)11-4-2-3-5-12(11)16(14)18/h2-5H,1,6-9H2
InChIKeyUSTGOPIUCZYGRH-UHFFFAOYSA-N
XLogP2.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 174898123
3-methylideneoxolane
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anthracene-9,10-dione;hydrofluoride
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anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione
CID 174264154
3,4-dihydro-1H-benzo[g]isothiochromene-5,10-dione
CID 56615317
7-methylidene-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-trien-6-one
CID 102242675
2-benzofuran-1,3-dione;oxolane
CID 158210256
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
phenanthrene-9,10-dione
CID 6763
CID 67824005
CID 67824005

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione?
The IUPAC name of 5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione (CID 122218623) is 5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione.
What is the SMILES notation for 5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione?
The canonical SMILES for 5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione is C=C1COCCC2=C(C1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione?
The InChIKey is USTGOPIUCZYGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-10-8-14-13(6-7-19-9-10)15(17)11-4-2-3-5-12(11)16(14)18/h2-5H,1,6-9H2.
What are the key properties of 5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione?
5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione has a molecular weight of 254.28 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2,6-dihydro-1H-benzo[i][3]benzoxocine-7,12-dione is sourced from PubChem (CID 122218623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).