4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde

C12H12O3 — CID 23468872

IUPAC4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde
SMILESCOc1ccc(C=O)c2oc(C)c(C)c12
InChIInChI=1S/C12H12O3/c1-7-8(2)15-12-9(6-13)4-5-10(14-3)11(7)12/h4-6H,1-3H3
InChIKeyJBFGLPDEYRDNAU-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.87
Rot. Bonds2

About 4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde

4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde (PubChem CID 23468872) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde
PubChem CID23468872
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde
SMILESCOc1ccc(C=O)c2oc(C)c(C)c12
InChIInChI=1S/C12H12O3/c1-7-8(2)15-12-9(6-13)4-5-10(14-3)11(7)12/h4-6H,1-3H3
InChIKeyJBFGLPDEYRDNAU-UHFFFAOYSA-N
XLogP2.87
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.87
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

7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde
CID 82404202
3-amino-4-methoxy-2-methylbenzaldehyde
CID 150747577
2,3-dimethyl-4-oxochromene-8-carbaldehyde
CID 155387779
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
3-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171021510
5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde
CID 135380692
6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde
CID 82392798
4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde
CID 29731
4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde
CID 82374331
7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde
CID 82027198
3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde
CID 131053295
2,3-ditert-butyl-4-methoxybenzaldehyde
CID 174455576

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde?
The IUPAC name of 4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde (CID 23468872) is 4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde?
The canonical SMILES for 4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde is COc1ccc(C=O)c2oc(C)c(C)c12.
What is the InChIKey of 4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde?
The InChIKey is JBFGLPDEYRDNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-7-8(2)15-12-9(6-13)4-5-10(14-3)11(7)12/h4-6H,1-3H3.
What are the key properties of 4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde?
4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde has a molecular weight of 204.22 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde is sourced from PubChem (CID 23468872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).