6,7-dimethoxy-1-benzofuran-3-carbaldehyde

C11H10O4 — CID 131462840

IUPAC6,7-dimethoxy-1-benzofuran-3-carbaldehyde
SMILESCOc1ccc2c(C=O)coc2c1OC
InChIInChI=1S/C11H10O4/c1-13-9-4-3-8-7(5-12)6-15-10(8)11(9)14-2/h3-6H,1-2H3
InChIKeyMTLZBSXVOZFYCZ-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.26
Rot. Bonds3

About 6,7-dimethoxy-1-benzofuran-3-carbaldehyde

6,7-dimethoxy-1-benzofuran-3-carbaldehyde (PubChem CID 131462840) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6,7-dimethoxy-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name6,7-dimethoxy-1-benzofuran-3-carbaldehyde
PubChem CID131462840
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name6,7-dimethoxy-1-benzofuran-3-carbaldehyde
SMILESCOc1ccc2c(C=O)coc2c1OC
InChIInChI=1S/C11H10O4/c1-13-9-4-3-8-7(5-12)6-15-10(8)11(9)14-2/h3-6H,1-2H3
InChIKeyMTLZBSXVOZFYCZ-UHFFFAOYSA-N
XLogP2.26
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde
CID 82027198
3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
CID 638205
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one
CID 142746801
5,8-dimethoxy-2-methylquinoline-3-carbaldehyde
CID 15672393
5-methoxy-1-benzofuran-3-carbaldehyde
CID 25131833
7-chloro-1-benzofuran-3-carbaldehyde
CID 82408697
CID 170734664
CID 170734664
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148
4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid
CID 21270150
7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
CID 740724
2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
CID 161122515

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-benzofuran-3-carbaldehyde?
The IUPAC name of 6,7-dimethoxy-1-benzofuran-3-carbaldehyde (CID 131462840) is 6,7-dimethoxy-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 6,7-dimethoxy-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 6,7-dimethoxy-1-benzofuran-3-carbaldehyde is COc1ccc2c(C=O)coc2c1OC.
What is the InChIKey of 6,7-dimethoxy-1-benzofuran-3-carbaldehyde?
The InChIKey is MTLZBSXVOZFYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-13-9-4-3-8-7(5-12)6-15-10(8)11(9)14-2/h3-6H,1-2H3.
What are the key properties of 6,7-dimethoxy-1-benzofuran-3-carbaldehyde?
6,7-dimethoxy-1-benzofuran-3-carbaldehyde has a molecular weight of 206.20 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 131462840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).