1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde

C15H12O2 — CID 656395

IUPAC1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde
SMILESCc1cc2occ(C)c2cc2c(C=O)ccc1-2
InChIInChI=1S/C15H12O2/c1-9-5-15-13(10(2)8-17-15)6-14-11(7-16)3-4-12(9)14/h3-8H,1-2H3
InChIKeyFBLXVRUJNOWDFB-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.97
Rot. Bonds1

About 1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde

1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde (PubChem CID 656395) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde.

Molecular Properties

Compound Name1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde
PubChem CID656395
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde
SMILESCc1cc2occ(C)c2cc2c(C=O)ccc1-2
InChIInChI=1S/C15H12O2/c1-9-5-15-13(10(2)8-17-15)6-14-11(7-16)3-4-12(9)14/h3-8H,1-2H3
InChIKeyFBLXVRUJNOWDFB-UHFFFAOYSA-N
XLogP3.97
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,5-dimethylazuleno[6,7-b]furan-8-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

Viburtinal
CID 594452
(2E)-2-(2-furylmethylene)indan-1-one
CID 12005104
Norviburtinal
CID 390664
3-Methylbenzofuran
CID 88939
2,4-Diphenylfuran
CID 344972
Linderazulene
CID 656393
11-Carbomethoxylinderazulene
CID 656394
Echinofuran
CID 10353201
3-Phenylfuran
CID 518802
2-Phenylfuran
CID 519363
2-(3-Phenylpropyl)furan
CID 529780
4-(Furan-2-yl)benzaldehyde
CID 2772295

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde?
The IUPAC name of 1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde (CID 656395) is 1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde.
What is the SMILES notation for 1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde?
The canonical SMILES for 1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde is Cc1cc2occ(C)c2cc2c(C=O)ccc1-2.
What is the InChIKey of 1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde?
The InChIKey is FBLXVRUJNOWDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-9-5-15-13(10(2)8-17-15)6-14-11(7-16)3-4-12(9)14/h3-8H,1-2H3.
What are the key properties of 1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde?
1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde has a molecular weight of 224.26 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde is sourced from PubChem (CID 656395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).