5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde

C16H14O4 — CID 169333699

IUPAC5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde
SMILESCC1(C)CC(=O)c2cc(-c3ccc(C=O)o3)ccc2O1
InChIInChI=1S/C16H14O4/c1-16(2)8-13(18)12-7-10(3-5-15(12)20-16)14-6-4-11(9-17)19-14/h3-7,9H,8H2,1-2H3
InChIKeyKWVJJEQAGFTEBL-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.50
Rot. Bonds2

About 5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde

5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde (PubChem CID 169333699) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde
PubChem CID169333699
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde
SMILESCC1(C)CC(=O)c2cc(-c3ccc(C=O)o3)ccc2O1
InChIInChI=1S/C16H14O4/c1-16(2)8-13(18)12-7-10(3-5-15(12)20-16)14-6-4-11(9-17)19-14/h3-7,9H,8H2,1-2H3
InChIKeyKWVJJEQAGFTEBL-UHFFFAOYSA-N
XLogP3.50
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-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

Related Compounds

ethyl 6-(5-formylfuran-2-yl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 169334928
5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one
CID 88638845
5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde
CID 675050
5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde
CID 169335246
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one
CID 166365244
5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde
CID 169335380
6-(2-hydroxyacetyl)-2,2-dimethyl-3H-chromen-4-one
CID 163042609
5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide
CID 169335264
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
5-(1,1,3-trioxo-1,2-benzothiazol-6-yl)furan-2-carbaldehyde
CID 169335383
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde
CID 169332554

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde (CID 169333699) is 5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde is CC1(C)CC(=O)c2cc(-c3ccc(C=O)o3)ccc2O1.
What is the InChIKey of 5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde?
The InChIKey is KWVJJEQAGFTEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-16(2)8-13(18)12-7-10(3-5-15(12)20-16)14-6-4-11(9-17)19-14/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde?
5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde has a molecular weight of 270.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde is sourced from PubChem (CID 169333699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).