4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde

C15H14O3 — CID 118628759

IUPAC4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde
SMILESCc1oc(C=O)cc1C1OCCc2ccccc21
InChIInChI=1S/C15H14O3/c1-10-14(8-12(9-16)18-10)15-13-5-3-2-4-11(13)6-7-17-15/h2-5,8-9,15H,6-7H2,1H3
InChIKeyLDEZFSLCHOCNRG-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.06
Rot. Bonds2

About 4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde

4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde (PubChem CID 118628759) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde
PubChem CID118628759
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde
SMILESCc1oc(C=O)cc1C1OCCc2ccccc21
InChIInChI=1S/C15H14O3/c1-10-14(8-12(9-16)18-10)15-13-5-3-2-4-11(13)6-7-17-15/h2-5,8-9,15H,6-7H2,1H3
InChIKeyLDEZFSLCHOCNRG-UHFFFAOYSA-N
XLogP3.06
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-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

3-(3,4-dihydro-1H-isochromen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 13275309
1-(3-methyl-4-nitrophenyl)-3,4-dihydro-1H-isochromene
CID 150686618
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 114977236
4-(3,4-dihydro-1H-isochromen-1-yl)aniline
CID 12943544
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-methylcyclopropyl)ethanone
CID 65421680
3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol
CID 158398026
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 115809555
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 114984040
ethyl 3,4-dihydro-1H-isochromene-1-carboxylate
CID 12511862
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)prop-2-en-1-amine
CID 15232789
[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl-diethylazanium
CID 6937341
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylbut-3-en-1-one
CID 105112573

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde?
The IUPAC name of 4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde (CID 118628759) is 4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde.
What is the SMILES notation for 4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde?
The canonical SMILES for 4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde is Cc1oc(C=O)cc1C1OCCc2ccccc21.
What is the InChIKey of 4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde?
The InChIKey is LDEZFSLCHOCNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-14(8-12(9-16)18-10)15-13-5-3-2-4-11(13)6-7-17-15/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde?
4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde has a molecular weight of 242.27 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde is sourced from PubChem (CID 118628759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).