4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde

C11H10O4 — CID 29731

IUPAC4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde
SMILESCc1oc2c(O)c(C=O)cc(O)c2c1C
InChIInChI=1S/C11H10O4/c1-5-6(2)15-11-9(5)8(13)3-7(4-12)10(11)14/h3-4,13-14H,1-2H3
InChIKeyVTVZMEODWOEJPE-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.27
Rot. Bonds1

About 4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde

4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde (PubChem CID 29731) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde.

Molecular Properties

Compound Name4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde
PubChem CID29731
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde
SMILESCc1oc2c(O)c(C=O)cc(O)c2c1C
InChIInChI=1S/C11H10O4/c1-5-6(2)15-11-9(5)8(13)3-7(4-12)10(11)14/h3-4,13-14H,1-2H3
InChIKeyVTVZMEODWOEJPE-UHFFFAOYSA-N
XLogP2.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde?
The IUPAC name of 4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde (CID 29731) is 4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde.
What is the SMILES notation for 4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde?
The canonical SMILES for 4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde is Cc1oc2c(O)c(C=O)cc(O)c2c1C.
What is the InChIKey of 4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde?
The InChIKey is VTVZMEODWOEJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-5-6(2)15-11-9(5)8(13)3-7(4-12)10(11)14/h3-4,13-14H,1-2H3.
What are the key properties of 4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde?
4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde has a molecular weight of 206.20 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde is sourced from PubChem (CID 29731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).