(3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one

C12H12O3 — CID 642373

IUPAC(3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one
SMILESCCC/C=C1\OC(=O)c2cccc(O)c21
InChIInChI=1S/C12H12O3/c1-2-3-7-10-11-8(12(14)15-10)5-4-6-9(11)13/h4-7,13H,2-3H2,1H3/b10-7-
InChIKeyFCZPMYNMCGYTCA-YFHOEESVSA-N
MW204.22 g/mol
LogP2.70
Rot. Bonds2

About (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one

(3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one (PubChem CID 642373) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one
PubChem CID642373
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one
SMILESCCC/C=C1\OC(=O)c2cccc(O)c21
InChIInChI=1S/C12H12O3/c1-2-3-7-10-11-8(12(14)15-10)5-4-6-9(11)13/h4-7,13H,2-3H2,1H3/b10-7-
InChIKeyFCZPMYNMCGYTCA-YFHOEESVSA-N
XLogP2.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one (CID 642373) is (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one is CCC/C=C1\OC(=O)c2cccc(O)c21.
What is the InChIKey of (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one?
The InChIKey is FCZPMYNMCGYTCA-YFHOEESVSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-3-7-10-11-8(12(14)15-10)5-4-6-9(11)13/h4-7,13H,2-3H2,1H3/b10-7-.
What are the key properties of (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one?
(3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one has a molecular weight of 204.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one is sourced from PubChem (CID 642373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).