6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one

C12H12O3 — CID 66643895

IUPAC6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one
SMILESC=Cc1cc2c(cc1CCO)COC2=O
InChIInChI=1S/C12H12O3/c1-2-8-6-11-10(7-15-12(11)14)5-9(8)3-4-13/h2,5-6,13H,1,3-4,7H2
InChIKeyNJBYWVNICNSABD-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.53
Rot. Bonds3

About 6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one

6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one (PubChem CID 66643895) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one
PubChem CID66643895
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one
SMILESC=Cc1cc2c(cc1CCO)COC2=O
InChIInChI=1S/C12H12O3/c1-2-8-6-11-10(7-15-12(11)14)5-9(8)3-4-13/h2,5-6,13H,1,3-4,7H2
InChIKeyNJBYWVNICNSABD-UHFFFAOYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one?
The IUPAC name of 6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one (CID 66643895) is 6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one is C=Cc1cc2c(cc1CCO)COC2=O.
What is the InChIKey of 6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one?
The InChIKey is NJBYWVNICNSABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-8-6-11-10(7-15-12(11)14)5-9(8)3-4-13/h2,5-6,13H,1,3-4,7H2.
What are the key properties of 6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one?
6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one has a molecular weight of 204.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-(2-hydroxyethyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 66643895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).