7-methyl-1-benzofuran-2-carbaldehyde

C10H8O2 — CID 10511153

IUPAC7-methyl-1-benzofuran-2-carbaldehyde
SMILESCc1cccc2cc(C=O)oc12
InChIInChI=1S/C10H8O2/c1-7-3-2-4-8-5-9(6-11)12-10(7)8/h2-6H,1H3
InChIKeyJXPVJVSXZDJGIZ-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.55
Rot. Bonds1

About 7-methyl-1-benzofuran-2-carbaldehyde

7-methyl-1-benzofuran-2-carbaldehyde (PubChem CID 10511153) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 7-methyl-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name7-methyl-1-benzofuran-2-carbaldehyde
PubChem CID10511153
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name7-methyl-1-benzofuran-2-carbaldehyde
SMILESCc1cccc2cc(C=O)oc12
InChIInChI=1S/C10H8O2/c1-7-3-2-4-8-5-9(6-11)12-10(7)8/h2-6H,1H3
InChIKeyJXPVJVSXZDJGIZ-UHFFFAOYSA-N
XLogP2.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.55
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 7-methyl-1-benzofuran-2-carbaldehyde?
The IUPAC name of 7-methyl-1-benzofuran-2-carbaldehyde (CID 10511153) is 7-methyl-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 7-methyl-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 7-methyl-1-benzofuran-2-carbaldehyde is Cc1cccc2cc(C=O)oc12.
What is the InChIKey of 7-methyl-1-benzofuran-2-carbaldehyde?
The InChIKey is JXPVJVSXZDJGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-7-3-2-4-8-5-9(6-11)12-10(7)8/h2-6H,1H3.
What are the key properties of 7-methyl-1-benzofuran-2-carbaldehyde?
7-methyl-1-benzofuran-2-carbaldehyde has a molecular weight of 160.17 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 10511153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).