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

C12H12O2 — CID 121009085

IUPAC2-propan-2-yl-1-benzofuran-7-carbaldehyde
SMILESCC(C)c1cc2cccc(C=O)c2o1
InChIInChI=1S/C12H12O2/c1-8(2)11-6-9-4-3-5-10(7-13)12(9)14-11/h3-8H,1-2H3
InChIKeyFWQLSADSJVZBAU-UHFFFAOYSA-N
MW188.23 g/mol
LogP3.37
Rot. Bonds2

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

2-propan-2-yl-1-benzofuran-7-carbaldehyde (PubChem CID 121009085) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-propan-2-yl-1-benzofuran-7-carbaldehyde.

Molecular Properties

Compound Name2-propan-2-yl-1-benzofuran-7-carbaldehyde
PubChem CID121009085
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-propan-2-yl-1-benzofuran-7-carbaldehyde
SMILESCC(C)c1cc2cccc(C=O)c2o1
InChIInChI=1S/C12H12O2/c1-8(2)11-6-9-4-3-5-10(7-13)12(9)14-11/h3-8H,1-2H3
InChIKeyFWQLSADSJVZBAU-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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Related Compounds

3-methyl-2-oxochromene-8-carbaldehyde
CID 13429634
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
7-propan-2-yl-1-benzofuran-2-carbaldehyde
CID 10750112
2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde
CID 22922207
3-hydroxy-2-propan-2-ylbenzaldehyde
CID 22259582
2-(1-aminoethyl)-1-benzofuran-7-ol
CID 82599376
5-methyl-1-[(2-propan-2-yl-1-benzofuran-7-yl)methyl]pyrazole-3-carboxylic acid
CID 24785328
7-methyl-1-benzofuran-2-carbaldehyde
CID 10511153
2-methoxy-1,3-benzoxazole-7-carbaldehyde
CID 131191307
3-amino-8-propan-2-ylchromen-2-one
CID 59144751
2-acetyl-1,3-benzoxazole-7-carbaldehyde
CID 130851785
1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol
CID 65440315

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-benzofuran-7-carbaldehyde?
The IUPAC name of 2-propan-2-yl-1-benzofuran-7-carbaldehyde (CID 121009085) is 2-propan-2-yl-1-benzofuran-7-carbaldehyde.
What is the SMILES notation for 2-propan-2-yl-1-benzofuran-7-carbaldehyde?
The canonical SMILES for 2-propan-2-yl-1-benzofuran-7-carbaldehyde is CC(C)c1cc2cccc(C=O)c2o1.
What is the InChIKey of 2-propan-2-yl-1-benzofuran-7-carbaldehyde?
The InChIKey is FWQLSADSJVZBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8(2)11-6-9-4-3-5-10(7-13)12(9)14-11/h3-8H,1-2H3.
What are the key properties of 2-propan-2-yl-1-benzofuran-7-carbaldehyde?
2-propan-2-yl-1-benzofuran-7-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 2-propan-2-yl-1-benzofuran-7-carbaldehyde is sourced from PubChem (CID 121009085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).