(3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one

C11H12O4 — CID 44576415

IUPAC(3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one
SMILESCC/C=C1\OC(=O)C2=C1C=CC(O)C2O
InChIInChI=1S/C11H12O4/c1-2-3-8-6-4-5-7(12)10(13)9(6)11(14)15-8/h3-5,7,10,12-13H,2H2,1H3/b8-3-
InChIKeyFZLIWDKLKWDLAD-BAQGIRSFSA-N
MW208.21 g/mol
LogP0.43
Rot. Bonds1

About (3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one

(3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one (PubChem CID 44576415) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one
PubChem CID44576415
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one
SMILESCC/C=C1\OC(=O)C2=C1C=CC(O)C2O
InChIInChI=1S/C11H12O4/c1-2-3-8-6-4-5-7(12)10(13)9(6)11(14)15-8/h3-5,7,10,12-13H,2H2,1H3/b8-3-
InChIKeyFZLIWDKLKWDLAD-BAQGIRSFSA-N
XLogP0.43
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one?
The IUPAC name of (3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one (CID 44576415) is (3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one?
The canonical SMILES for (3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one is CC/C=C1\OC(=O)C2=C1C=CC(O)C2O.
What is the InChIKey of (3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one?
The InChIKey is FZLIWDKLKWDLAD-BAQGIRSFSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-3-8-6-4-5-7(12)10(13)9(6)11(14)15-8/h3-5,7,10,12-13H,2H2,1H3/b8-3-.
What are the key properties of (3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one?
(3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one has a molecular weight of 208.21 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6,7-dihydroxy-3-propylidene-6,7-dihydro-2-benzofuran-1-one is sourced from PubChem (CID 44576415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).