5,7-dimethyl-1-benzofuran-2-carbaldehyde

C11H10O2 — CID 10654816

IUPAC5,7-dimethyl-1-benzofuran-2-carbaldehyde
SMILESCc1cc(C)c2oc(C=O)cc2c1
InChIInChI=1S/C11H10O2/c1-7-3-8(2)11-9(4-7)5-10(6-12)13-11/h3-6H,1-2H3
InChIKeyHVGQWIGNDNADOZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.86
Rot. Bonds1

About 5,7-dimethyl-1-benzofuran-2-carbaldehyde

5,7-dimethyl-1-benzofuran-2-carbaldehyde (PubChem CID 10654816) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 5,7-dimethyl-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name5,7-dimethyl-1-benzofuran-2-carbaldehyde
PubChem CID10654816
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name5,7-dimethyl-1-benzofuran-2-carbaldehyde
SMILESCc1cc(C)c2oc(C=O)cc2c1
InChIInChI=1S/C11H10O2/c1-7-3-8(2)11-9(4-7)5-10(6-12)13-11/h3-6H,1-2H3
InChIKeyHVGQWIGNDNADOZ-UHFFFAOYSA-N
XLogP2.86
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-benzofuran-2-carbaldehyde?
The IUPAC name of 5,7-dimethyl-1-benzofuran-2-carbaldehyde (CID 10654816) is 5,7-dimethyl-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 5,7-dimethyl-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 5,7-dimethyl-1-benzofuran-2-carbaldehyde is Cc1cc(C)c2oc(C=O)cc2c1.
What is the InChIKey of 5,7-dimethyl-1-benzofuran-2-carbaldehyde?
The InChIKey is HVGQWIGNDNADOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-7-3-8(2)11-9(4-7)5-10(6-12)13-11/h3-6H,1-2H3.
What are the key properties of 5,7-dimethyl-1-benzofuran-2-carbaldehyde?
5,7-dimethyl-1-benzofuran-2-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 10654816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).