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

C11H10O3 — CID 82404202

IUPAC7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde
SMILESCc1oc2c(O)ccc(C=O)c2c1C
InChIInChI=1S/C11H10O3/c1-6-7(2)14-11-9(13)4-3-8(5-12)10(6)11/h3-5,13H,1-2H3
InChIKeyDPTGHFZACIWJMV-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.57
Rot. Bonds1

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

7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde (PubChem CID 82404202) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde
PubChem CID82404202
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde
SMILESCc1oc2c(O)ccc(C=O)c2c1C
InChIInChI=1S/C11H10O3/c1-6-7(2)14-11-9(13)4-3-8(5-12)10(6)11/h3-5,13H,1-2H3
InChIKeyDPTGHFZACIWJMV-UHFFFAOYSA-N
XLogP2.57
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde?
The IUPAC name of 7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde (CID 82404202) is 7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde.
What is the SMILES notation for 7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde?
The canonical SMILES for 7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde is Cc1oc2c(O)ccc(C=O)c2c1C.
What is the InChIKey of 7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde?
The InChIKey is DPTGHFZACIWJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-6-7(2)14-11-9(13)4-3-8(5-12)10(6)11/h3-5,13H,1-2H3.
What are the key properties of 7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde?
7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbaldehyde is sourced from PubChem (CID 82404202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).