4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde

C11H12O3 — CID 82374449

IUPAC4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
SMILESCOc1c(C=O)cc(C)c2c1CCO2
InChIInChI=1S/C11H12O3/c1-7-5-8(6-12)11(13-2)9-3-4-14-10(7)9/h5-6H,3-4H2,1-2H3
InChIKeySKWWFUVFEOXUAU-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.75
Rot. Bonds2

About 4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde

4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde (PubChem CID 82374449) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
PubChem CID82374449
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
SMILESCOc1c(C=O)cc(C)c2c1CCO2
InChIInChI=1S/C11H12O3/c1-7-5-8(6-12)11(13-2)9-3-4-14-10(7)9/h5-6H,3-4H2,1-2H3
InChIKeySKWWFUVFEOXUAU-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 142236889
4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 117275802
2,3-dimethoxy-4,5-dimethylbenzaldehyde
CID 66545575
2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
CID 105451300
3-[(E)-[(3E)-3-[(3-formyl-2-methoxy-5-methylphenyl)methylidene]-2-oxocyclohexylidene]methyl]-2-methoxy-5-methylbenzaldehyde
CID 139194689
4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde
CID 82374430
1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 117273377
methyl 2-[(5-methyl-7-sulfanyl-2,3-dihydro-1-benzofuran-4-yl)oxy]acetate
CID 22603272
8-methyl-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
CID 105437322
1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83903503
3-fluoro-5-formyl-4-methoxybenzoyl chloride
CID 163229934
8-(isocyanatomethyl)-4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
CID 117369779

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The IUPAC name of 4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde (CID 82374449) is 4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for 4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The canonical SMILES for 4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde is COc1c(C=O)cc(C)c2c1CCO2.
What is the InChIKey of 4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The InChIKey is SKWWFUVFEOXUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-7-5-8(6-12)11(13-2)9-3-4-14-10(7)9/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde has a molecular weight of 192.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 82374449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).