7-propan-2-yl-1-benzofuran-2-carbaldehyde

C12H12O2 — CID 10750112

IUPAC7-propan-2-yl-1-benzofuran-2-carbaldehyde
SMILESCC(C)c1cccc2cc(C=O)oc12
InChIInChI=1S/C12H12O2/c1-8(2)11-5-3-4-9-6-10(7-13)14-12(9)11/h3-8H,1-2H3
InChIKeyWTLZQJFLOMJUNN-UHFFFAOYSA-N
MW188.23 g/mol
LogP3.37
Rot. Bonds2

About 7-propan-2-yl-1-benzofuran-2-carbaldehyde

7-propan-2-yl-1-benzofuran-2-carbaldehyde (PubChem CID 10750112) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 7-propan-2-yl-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name7-propan-2-yl-1-benzofuran-2-carbaldehyde
PubChem CID10750112
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name7-propan-2-yl-1-benzofuran-2-carbaldehyde
SMILESCC(C)c1cccc2cc(C=O)oc12
InChIInChI=1S/C12H12O2/c1-8(2)11-5-3-4-9-6-10(7-13)14-12(9)11/h3-8H,1-2H3
InChIKeyWTLZQJFLOMJUNN-UHFFFAOYSA-N
XLogP3.37
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 53.37
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-propan-2-yl-1-benzofuran-2-carbaldehyde?
The IUPAC name of 7-propan-2-yl-1-benzofuran-2-carbaldehyde (CID 10750112) is 7-propan-2-yl-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 7-propan-2-yl-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 7-propan-2-yl-1-benzofuran-2-carbaldehyde is CC(C)c1cccc2cc(C=O)oc12.
What is the InChIKey of 7-propan-2-yl-1-benzofuran-2-carbaldehyde?
The InChIKey is WTLZQJFLOMJUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8(2)11-5-3-4-9-6-10(7-13)14-12(9)11/h3-8H,1-2H3.
What are the key properties of 7-propan-2-yl-1-benzofuran-2-carbaldehyde?
7-propan-2-yl-1-benzofuran-2-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 10750112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).