4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde

C12H10O3 — CID 10878218

IUPAC4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde
SMILESC=C(C)c1cc2c(O)c(C=O)ccc2o1
InChIInChI=1S/C12H10O3/c1-7(2)11-5-9-10(15-11)4-3-8(6-13)12(9)14/h3-6,14H,1H2,2H3
InChIKeyOOKKQWASZWHYQI-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.98
Rot. Bonds2

About 4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde

4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde (PubChem CID 10878218) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde
PubChem CID10878218
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde
SMILESC=C(C)c1cc2c(O)c(C=O)ccc2o1
InChIInChI=1S/C12H10O3/c1-7(2)11-5-9-10(15-11)4-3-8(6-13)12(9)14/h3-6,14H,1H2,2H3
InChIKeyOOKKQWASZWHYQI-UHFFFAOYSA-N
XLogP2.98
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde?
The IUPAC name of 4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde (CID 10878218) is 4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for 4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde?
The canonical SMILES for 4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde is C=C(C)c1cc2c(O)c(C=O)ccc2o1.
What is the InChIKey of 4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde?
The InChIKey is OOKKQWASZWHYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-7(2)11-5-9-10(15-11)4-3-8(6-13)12(9)14/h3-6,14H,1H2,2H3.
What are the key properties of 4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde?
4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 10878218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).