(2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione

C15H12O4 — CID 102222645

IUPAC(2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
SMILESC=C(C)[C@H]1CC2=C(O1)c1cccc(O)c1C(=O)C2=O
InChIInChI=1S/C15H12O4/c1-7(2)11-6-9-13(17)14(18)12-8(15(9)19-11)4-3-5-10(12)16/h3-5,11,16H,1,6H2,2H3/t11-/m1/s1
InChIKeyWKLGYQWVPPIRFC-LLVKDONJSA-N
MW256.26 g/mol
LogP2.23
Rot. Bonds1

About (2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione

(2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione (PubChem CID 102222645) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione.

Molecular Properties

Compound Name(2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
PubChem CID102222645
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name(2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
SMILESC=C(C)[C@H]1CC2=C(O1)c1cccc(O)c1C(=O)C2=O
InChIInChI=1S/C15H12O4/c1-7(2)11-6-9-13(17)14(18)12-8(15(9)19-11)4-3-5-10(12)16/h3-5,11,16H,1,6H2,2H3/t11-/m1/s1
InChIKeyWKLGYQWVPPIRFC-LLVKDONJSA-N
XLogP2.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze (2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione with MolForge

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Related Compounds

(2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 162891520
(2R)-5-methoxy-2-(3-methylbut-2-en-2-yl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 44584420
(1R,3R)-1-methoxy-3-prop-1-en-2-yl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
CID 22870050
1-hydroxy-5-methylanthracene-9,10-dione
CID 10490094
3-methylidene-5-prop-1-en-2-yloxolan-2-one
CID 14714230
(12R,14S,15R)-4,15-dihydroxy-14-methyl-13-oxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),3(8),4,6-tetraene-2,9-dione
CID 95931194
8-hydroxy-2-(iodomethyl)-3,3-dimethyl-2H-benzo[f][1]benzofuran-4,9-dione
CID 46885664
9-hydroxy-2-(iodomethyl)-3,3-dimethyl-2H-benzo[g][1]benzofuran-4,5-dione
CID 90671222
1,3,4,5-tetrahydroxy-2-methylanthracene-9,10-dione
CID 71325692
5-hydroxy-2-methyl-2,3-dihydronaphthalene-1,4-dione
CID 14412241
4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione
CID 11550599
2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one
CID 89284176

Frequently Asked Questions

What is the IUPAC name of (2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The IUPAC name of (2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione (CID 102222645) is (2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione.
What is the SMILES notation for (2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The canonical SMILES for (2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione is C=C(C)[C@H]1CC2=C(O1)c1cccc(O)c1C(=O)C2=O.
What is the InChIKey of (2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The InChIKey is WKLGYQWVPPIRFC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H12O4/c1-7(2)11-6-9-13(17)14(18)12-8(15(9)19-11)4-3-5-10(12)16/h3-5,11,16H,1,6H2,2H3/t11-/m1/s1.
What are the key properties of (2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
(2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione has a molecular weight of 256.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione is sourced from PubChem (CID 102222645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).