2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione

C15H12O3 — CID 4301570

IUPAC2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
SMILESC=C(C)C1CC2=C(O1)c1ccccc1C(=O)C2=O
InChIInChI=1S/C15H12O3/c1-8(2)12-7-11-14(17)13(16)9-5-3-4-6-10(9)15(11)18-12/h3-6,12H,1,7H2,2H3
InChIKeyJXIGNVDGTOKIJS-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.53
Rot. Bonds1

About 2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione

2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione (PubChem CID 4301570) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione.

Molecular Properties

Compound Name2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
PubChem CID4301570
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
SMILESC=C(C)C1CC2=C(O1)c1ccccc1C(=O)C2=O
InChIInChI=1S/C15H12O3/c1-8(2)12-7-11-14(17)13(16)9-5-3-4-6-10(9)15(11)18-12/h3-6,12H,1,7H2,2H3
InChIKeyJXIGNVDGTOKIJS-UHFFFAOYSA-N
XLogP2.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Butylphthalide
CID 61361
Beta-Lapachone
CID 3885
Dihydrotanshinone I
CID 11425923
Cryptotanshinone
CID 160254
Phthalide
CID 6885
Butylidenephthalide
CID 5352899
Propylidenephthalide
CID 28500
3-Propylidene-1(3H)-isobenzofuranone
CID 6259976
3-Phenylphthalide
CID 95365
1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro(1,2-b)furan-10,11-dione
CID 496348
Mansonone F
CID 94304
1(3H)-Isobenzofuranone, 3-butylidene-
CID 62368

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The IUPAC name of 2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione (CID 4301570) is 2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione.
What is the SMILES notation for 2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The canonical SMILES for 2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione is C=C(C)C1CC2=C(O1)c1ccccc1C(=O)C2=O.
What is the InChIKey of 2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The InChIKey is JXIGNVDGTOKIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-8(2)12-7-11-14(17)13(16)9-5-3-4-6-10(9)15(11)18-12/h3-6,12H,1,7H2,2H3.
What are the key properties of 2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione has a molecular weight of 240.26 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione is sourced from PubChem (CID 4301570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).