(2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione

C15H12O5 — CID 162891520

IUPAC(2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
SMILESC=C(C)[C@H]1CC2=C(O1)C(=O)c1cc(O)cc(O)c1C2=O
InChIInChI=1S/C15H12O5/c1-6(2)11-5-9-13(18)12-8(14(19)15(9)20-11)3-7(16)4-10(12)17/h3-4,11,16-17H,1,5H2,2H3/t11-/m1/s1
InChIKeyZGMMIWHFZWXNPT-LLVKDONJSA-N
MW272.26 g/mol
LogP2.10
Rot. Bonds1

About (2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione

(2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione (PubChem CID 162891520) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is (2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name(2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
PubChem CID162891520
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name(2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
SMILESC=C(C)[C@H]1CC2=C(O1)C(=O)c1cc(O)cc(O)c1C2=O
InChIInChI=1S/C15H12O5/c1-6(2)11-5-9-13(18)12-8(14(19)15(9)20-11)3-7(16)4-10(12)17/h3-4,11,16-17H,1,5H2,2H3/t11-/m1/s1
InChIKeyZGMMIWHFZWXNPT-LLVKDONJSA-N
XLogP2.10
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione with MolForge

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Related Compounds

(2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
CID 102222645
(2R)-5-methoxy-2-(3-methylbut-2-en-2-yl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 44584420
1-(1-but-2-en-2-yloxyethenyl)-4,5,7-trihydroxy-2-methylanthracene-9,10-dione
CID 72590212
1,3,5-trihydroxyanthracene-9,10-dione
CID 11265324
(1R,17R)-3,7,9-trihydroxy-1-methyl-16,21-dioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaene-5,12-dione
CID 162964621
1,3-dihydroxy-6-methoxy-7-methylanthracene-9,10-dione
CID 162876842
3-methylidene-5-prop-1-en-2-yloxolan-2-one
CID 14714230
2,4,8,10-tetrahydroxy-3-(3-oxobutyl)-2,3-dihydronaphtho[3,2-g][1]benzofuran-6,11-dione
CID 14077328
2,4,5,7,9-pentahydroxy-2-methyl-3,4-dihydronaphtho[2,3-g]chromene-6,11-dione
CID 10642118
(4aS,12bS)-8,10-dihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
CID 162927949
3-[(1S,2S)-1,2-dihydroxypropyl]-1,6,8-trihydroxyanthracene-9,10-dione
CID 38357215
3-[(1R,2S)-1,2-dihydroxypropyl]-1,6,8-trihydroxyanthracene-9,10-dione
CID 38357224

Frequently Asked Questions

What is the IUPAC name of (2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
The IUPAC name of (2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione (CID 162891520) is (2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for (2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for (2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione is C=C(C)[C@H]1CC2=C(O1)C(=O)c1cc(O)cc(O)c1C2=O.
What is the InChIKey of (2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
The InChIKey is ZGMMIWHFZWXNPT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H12O5/c1-6(2)11-5-9-13(18)12-8(14(19)15(9)20-11)3-7(16)4-10(12)17/h3-4,11,16-17H,1,5H2,2H3/t11-/m1/s1.
What are the key properties of (2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione?
(2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione has a molecular weight of 272.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 162891520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).