4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde

C11H10O3 — CID 82374331

IUPAC4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde
SMILESCOc1cccc2oc(C=O)c(C)c12
InChIInChI=1S/C11H10O3/c1-7-10(6-12)14-9-5-3-4-8(13-2)11(7)9/h3-6H,1-2H3
InChIKeyGVBPLDXPDFMBGQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.56
Rot. Bonds2

About 4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde

4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde (PubChem CID 82374331) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde
PubChem CID82374331
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde
SMILESCOc1cccc2oc(C=O)c(C)c12
InChIInChI=1S/C11H10O3/c1-7-10(6-12)14-9-5-3-4-8(13-2)11(7)9/h3-6H,1-2H3
InChIKeyGVBPLDXPDFMBGQ-UHFFFAOYSA-N
XLogP2.56
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.56
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

5-methoxy-4-methylchromen-2-one
CID 11286956
3,4,5-trimethoxychromen-2-one
CID 19930053
2-amino-5-methoxychromen-4-one
CID 134860119
ethane;4-methoxy-3-methyl-1-benzofuran
CID 142181981
4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde
CID 23468872
2-(2-methoxyphenyl)-3-methyl-4-propoxy-1-benzofuran
CID 54415251
4-methoxy-3-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 84697441
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
4-methoxy-1,3-benzoxathiol-2-one
CID 12563343
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
CID 172643077
2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 10981650
5-methoxy-2-(trifluoromethyl)chromen-4-one
CID 134855912

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde?
The IUPAC name of 4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde (CID 82374331) is 4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde is COc1cccc2oc(C=O)c(C)c12.
What is the InChIKey of 4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde?
The InChIKey is GVBPLDXPDFMBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7-10(6-12)14-9-5-3-4-8(13-2)11(7)9/h3-6H,1-2H3.
What are the key properties of 4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde?
4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 82374331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).