1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone

C14H14O4 — CID 71357678

IUPAC1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone
SMILESC=C(C)c1cc2cc(C(C)=O)c(O)c(OC)c2o1
InChIInChI=1S/C14H14O4/c1-7(2)11-6-9-5-10(8(3)15)12(16)14(17-4)13(9)18-11/h5-6,16H,1H2,2-4H3
InChIKeyQPWSMDXAICDIQS-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.38
Rot. Bonds3

About 1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone

1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone (PubChem CID 71357678) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone
PubChem CID71357678
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone
SMILESC=C(C)c1cc2cc(C(C)=O)c(O)c(OC)c2o1
InChIInChI=1S/C14H14O4/c1-7(2)11-6-9-5-10(8(3)15)12(16)14(17-4)13(9)18-11/h5-6,16H,1H2,2-4H3
InChIKeyQPWSMDXAICDIQS-UHFFFAOYSA-N
XLogP3.38
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone?
The IUPAC name of 1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone (CID 71357678) is 1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone is C=C(C)c1cc2cc(C(C)=O)c(O)c(OC)c2o1.
What is the InChIKey of 1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone?
The InChIKey is QPWSMDXAICDIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-7(2)11-6-9-5-10(8(3)15)12(16)14(17-4)13(9)18-11/h5-6,16H,1H2,2-4H3.
What are the key properties of 1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone?
1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone has a molecular weight of 246.26 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-7-methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 71357678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).