2-(1-benzofuran-5-yl)prop-2-enoic acid

C11H8O3 — CID 23452675

IUPAC2-(1-benzofuran-5-yl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccc2occc2c1
InChIInChI=1S/C11H8O3/c1-7(11(12)13)8-2-3-10-9(6-8)4-5-14-10/h2-6H,1H2,(H,12,13)
InChIKeyVCYSZBQXGKGDAL-UHFFFAOYSA-N
MW188.18 g/mol
LogP2.53
Rot. Bonds2

About 2-(1-benzofuran-5-yl)prop-2-enoic acid

2-(1-benzofuran-5-yl)prop-2-enoic acid (PubChem CID 23452675) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)prop-2-enoic acid
PubChem CID23452675
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name2-(1-benzofuran-5-yl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccc2occc2c1
InChIInChI=1S/C11H8O3/c1-7(11(12)13)8-2-3-10-9(6-8)4-5-14-10/h2-6H,1H2,(H,12,13)
InChIKeyVCYSZBQXGKGDAL-UHFFFAOYSA-N
XLogP2.53
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)prop-2-enoic acid?
The IUPAC name of 2-(1-benzofuran-5-yl)prop-2-enoic acid (CID 23452675) is 2-(1-benzofuran-5-yl)prop-2-enoic acid.
What is the SMILES notation for 2-(1-benzofuran-5-yl)prop-2-enoic acid?
The canonical SMILES for 2-(1-benzofuran-5-yl)prop-2-enoic acid is C=C(C(=O)O)c1ccc2occc2c1.
What is the InChIKey of 2-(1-benzofuran-5-yl)prop-2-enoic acid?
The InChIKey is VCYSZBQXGKGDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c1-7(11(12)13)8-2-3-10-9(6-8)4-5-14-10/h2-6H,1H2,(H,12,13).
What are the key properties of 2-(1-benzofuran-5-yl)prop-2-enoic acid?
2-(1-benzofuran-5-yl)prop-2-enoic acid has a molecular weight of 188.18 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)prop-2-enoic acid is sourced from PubChem (CID 23452675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).