2-propyl-1-benzofuran-5-carbaldehyde

C12H12O2 — CID 139928925

IUPAC2-propyl-1-benzofuran-5-carbaldehyde
SMILESCCCc1cc2cc(C=O)ccc2o1
InChIInChI=1S/C12H12O2/c1-2-3-11-7-10-6-9(8-13)4-5-12(10)14-11/h4-8H,2-3H2,1H3
InChIKeyXFYNMTUNFYTLTB-UHFFFAOYSA-N
MW188.23 g/mol
LogP3.20
Rot. Bonds3

About 2-propyl-1-benzofuran-5-carbaldehyde

2-propyl-1-benzofuran-5-carbaldehyde (PubChem CID 139928925) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-propyl-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name2-propyl-1-benzofuran-5-carbaldehyde
PubChem CID139928925
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-propyl-1-benzofuran-5-carbaldehyde
SMILESCCCc1cc2cc(C=O)ccc2o1
InChIInChI=1S/C12H12O2/c1-2-3-11-7-10-6-9(8-13)4-5-12(10)14-11/h4-8H,2-3H2,1H3
InChIKeyXFYNMTUNFYTLTB-UHFFFAOYSA-N
XLogP3.20
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-propyl-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

Related Compounds

2-propyl-1-benzofuran-5-amine
CID 22132951
1-benzofuran-2,5-dicarbaldehyde
CID 18349269
3-methyl-2-oxochromene-6-carbaldehyde
CID 13429635
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-carbaldehyde
CID 10758885
2-butyl-5-nitroso-1-benzofuran
CID 91555766
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-carbaldehyde
CID 167734414
2-butyl-1-benzofuran-5-carboxylic acid
CID 71574140
2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-carbaldehyde
CID 10667776
2-methyl-5-propylfuran-3-carbaldehyde
CID 150483674
2-propylterephthalaldehyde
CID 134537626
4-(2-benzyl-1-benzofuran-5-yl)-3-fluorobenzaldehyde
CID 58415370

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-benzofuran-5-carbaldehyde?
The IUPAC name of 2-propyl-1-benzofuran-5-carbaldehyde (CID 139928925) is 2-propyl-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for 2-propyl-1-benzofuran-5-carbaldehyde?
The canonical SMILES for 2-propyl-1-benzofuran-5-carbaldehyde is CCCc1cc2cc(C=O)ccc2o1.
What is the InChIKey of 2-propyl-1-benzofuran-5-carbaldehyde?
The InChIKey is XFYNMTUNFYTLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-2-3-11-7-10-6-9(8-13)4-5-12(10)14-11/h4-8H,2-3H2,1H3.
What are the key properties of 2-propyl-1-benzofuran-5-carbaldehyde?
2-propyl-1-benzofuran-5-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 139928925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).