4,6-dimethoxy-1-benzofuran-7-carbaldehyde

C11H10O4 — CID 82396117

IUPAC4,6-dimethoxy-1-benzofuran-7-carbaldehyde
SMILESCOc1cc(OC)c2ccoc2c1C=O
InChIInChI=1S/C11H10O4/c1-13-9-5-10(14-2)8(6-12)11-7(9)3-4-15-11/h3-6H,1-2H3
InChIKeyVDTVZSPQNVASIS-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.26
Rot. Bonds3

About 4,6-dimethoxy-1-benzofuran-7-carbaldehyde

4,6-dimethoxy-1-benzofuran-7-carbaldehyde (PubChem CID 82396117) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4,6-dimethoxy-1-benzofuran-7-carbaldehyde.

Molecular Properties

Compound Name4,6-dimethoxy-1-benzofuran-7-carbaldehyde
PubChem CID82396117
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name4,6-dimethoxy-1-benzofuran-7-carbaldehyde
SMILESCOc1cc(OC)c2ccoc2c1C=O
InChIInChI=1S/C11H10O4/c1-13-9-5-10(14-2)8(6-12)11-7(9)3-4-15-11/h3-6H,1-2H3
InChIKeyVDTVZSPQNVASIS-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-1-benzofuran-4-yl) formate
CID 19261744
methyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate
CID 154362624
4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde
CID 82374430
7-iodo-4-methoxy-1-benzofuran
CID 166610141
4-chlorofuro[2,3-f][1]benzofuran-8-carbaldehyde
CID 115010316
4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde
CID 132915513
ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate
CID 134924711
(E)-3-(4,7-dimethoxy-1-benzofuran-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 156702988
4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde
CID 101182137
6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one
CID 162383554
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1-benzofuran-7-carbaldehyde?
The IUPAC name of 4,6-dimethoxy-1-benzofuran-7-carbaldehyde (CID 82396117) is 4,6-dimethoxy-1-benzofuran-7-carbaldehyde.
What is the SMILES notation for 4,6-dimethoxy-1-benzofuran-7-carbaldehyde?
The canonical SMILES for 4,6-dimethoxy-1-benzofuran-7-carbaldehyde is COc1cc(OC)c2ccoc2c1C=O.
What is the InChIKey of 4,6-dimethoxy-1-benzofuran-7-carbaldehyde?
The InChIKey is VDTVZSPQNVASIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-13-9-5-10(14-2)8(6-12)11-7(9)3-4-15-11/h3-6H,1-2H3.
What are the key properties of 4,6-dimethoxy-1-benzofuran-7-carbaldehyde?
4,6-dimethoxy-1-benzofuran-7-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 4,6-dimethoxy-1-benzofuran-7-carbaldehyde is sourced from PubChem (CID 82396117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).