5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde

C15H14O5 — CID 169334621

IUPAC5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde
SMILESCOCC1COc2ccc(-c3ccc(C=O)o3)cc2O1
InChIInChI=1S/C15H14O5/c1-17-8-12-9-18-14-4-2-10(6-15(14)20-12)13-5-3-11(7-16)19-13/h2-7,12H,8-9H2,1H3
InChIKeyQERDALNNBQXISF-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.55
Rot. Bonds4

About 5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde

5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde (PubChem CID 169334621) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde
PubChem CID169334621
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde
SMILESCOCC1COc2ccc(-c3ccc(C=O)o3)cc2O1
InChIInChI=1S/C15H14O5/c1-17-8-12-9-18-14-4-2-10(6-15(14)20-12)13-5-3-11(7-16)19-13/h2-7,12H,8-9H2,1H3
InChIKeyQERDALNNBQXISF-UHFFFAOYSA-N
XLogP2.55
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-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

6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 168527261
1,3-benzodioxole;(3S)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 91314133
dimethyl (E)-2-[[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]but-2-enedioate
CID 168568423
5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide
CID 169335264
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
5-(3-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169331838
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
CID 169334200
5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde
CID 169335433
5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde
CID 169333111
5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde
CID 169333699
methyl 6-amino-2-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 167227548
(6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
CID 134174574

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde (CID 169334621) is 5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde is COCC1COc2ccc(-c3ccc(C=O)o3)cc2O1.
What is the InChIKey of 5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde?
The InChIKey is QERDALNNBQXISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-17-8-12-9-18-14-4-2-10(6-15(14)20-12)13-5-3-11(7-16)19-13/h2-7,12H,8-9H2,1H3.
What are the key properties of 5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde?
5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde has a molecular weight of 274.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde is sourced from PubChem (CID 169334621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).