2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde

C9H10O2 — CID 142224246

IUPAC2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde
SMILESO=CC1CC2=C(C=CCC2)O1
InChIInChI=1S/C9H10O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h2,4,6,8H,1,3,5H2
InChIKeyODJCMFRNSKJPGR-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.58
Rot. Bonds1

About 2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde

2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde (PubChem CID 142224246) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde
PubChem CID142224246
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde
SMILESO=CC1CC2=C(C=CCC2)O1
InChIInChI=1S/C9H10O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h2,4,6,8H,1,3,5H2
InChIKeyODJCMFRNSKJPGR-UHFFFAOYSA-N
XLogP1.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,4,5-tetrahydro-1-benzofuran-2-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 2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde?
The IUPAC name of 2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde (CID 142224246) is 2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde is O=CC1CC2=C(C=CCC2)O1.
What is the InChIKey of 2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde?
The InChIKey is ODJCMFRNSKJPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h2,4,6,8H,1,3,5H2.
What are the key properties of 2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde?
2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 142224246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).