2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione

C14H10O5 — CID 621049

IUPAC2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione
SMILESC=C(CO)c1cc2c(o1)C(=O)c1occ(C)c1C2=O
InChIInChI=1S/C14H10O5/c1-6(4-15)9-3-8-11(16)10-7(2)5-18-14(10)12(17)13(8)19-9/h3,5,15H,1,4H2,2H3
InChIKeyGFOTZRKNFPYZHF-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.96
Rot. Bonds2

About 2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione

2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione (PubChem CID 621049) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione
PubChem CID621049
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Name2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione
SMILESC=C(CO)c1cc2c(o1)C(=O)c1occ(C)c1C2=O
InChIInChI=1S/C14H10O5/c1-6(4-15)9-3-8-11(16)10-7(2)5-18-14(10)12(17)13(8)19-9/h3,5,15H,1,4H2,2H3
InChIKeyGFOTZRKNFPYZHF-UHFFFAOYSA-N
XLogP1.96
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione?
The IUPAC name of 2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione (CID 621049) is 2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione.
What is the SMILES notation for 2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione?
The canonical SMILES for 2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione is C=C(CO)c1cc2c(o1)C(=O)c1occ(C)c1C2=O.
What is the InChIKey of 2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione?
The InChIKey is GFOTZRKNFPYZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c1-6(4-15)9-3-8-11(16)10-7(2)5-18-14(10)12(17)13(8)19-9/h3,5,15H,1,4H2,2H3.
What are the key properties of 2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione?
2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione has a molecular weight of 258.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-en-2-yl)-5-methylfuro[3,2-f][1]benzofuran-4,8-dione is sourced from PubChem (CID 621049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).