3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal

C12H14O2 — CID 114746856

IUPAC3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal
SMILESCC(C=O)Cc1cccc2c1OCC2
InChIInChI=1S/C12H14O2/c1-9(8-13)7-11-4-2-3-10-5-6-14-12(10)11/h2-4,8-9H,5-7H2,1H3
InChIKeyJBRAUZIELJDIIO-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.00
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal

3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal (PubChem CID 114746856) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal
PubChem CID114746856
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal
SMILESCC(C=O)Cc1cccc2c1OCC2
InChIInChI=1S/C12H14O2/c1-9(8-13)7-11-4-2-3-10-5-6-14-12(10)11/h2-4,8-9H,5-7H2,1H3
InChIKeyJBRAUZIELJDIIO-UHFFFAOYSA-N
XLogP2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.00
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

8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312
7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran
CID 114747068
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene
CID 114747076
7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran
CID 177208791
7-(isocyanatomethyl)-2,3-dihydro-1-benzofuran
CID 117277211
3-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylpropanoic acid
CID 117314085
ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate
CID 114746699
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
7-(3-chloro-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran
CID 114747050
3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
CID 114746889

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal (CID 114746856) is 3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal is CC(C=O)Cc1cccc2c1OCC2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal?
The InChIKey is JBRAUZIELJDIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(8-13)7-11-4-2-3-10-5-6-14-12(10)11/h2-4,8-9H,5-7H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal?
3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal has a molecular weight of 190.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal is sourced from PubChem (CID 114746856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).