1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one

C16H20O2 — CID 20778840

IUPAC1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one
SMILESCCC(=O)C1C(c2cccc3c2CCO3)C1(C)C
InChIInChI=1S/C16H20O2/c1-4-12(17)15-14(16(15,2)3)11-6-5-7-13-10(11)8-9-18-13/h5-7,14-15H,4,8-9H2,1-3H3
InChIKeyMIISGRKWGCEYMQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.34
Rot. Bonds3

About 1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one

1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one (PubChem CID 20778840) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one
PubChem CID20778840
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one
SMILESCCC(=O)C1C(c2cccc3c2CCO3)C1(C)C
InChIInChI=1S/C16H20O2/c1-4-12(17)15-14(16(15,2)3)11-6-5-7-13-10(11)8-9-18-13/h5-7,14-15H,4,8-9H2,1-3H3
InChIKeyMIISGRKWGCEYMQ-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one with MolForge

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Related Compounds

N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide
CID 18787372
5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-2-methylsulfanyl-4,5-dihydro-1H-imidazole
CID 71129727
5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine
CID 10199316
5-[(1R,3R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazole
CID 135536208
2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide
CID 123181605
N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide
CID 161143969
4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine
CID 123608868
1-(2,3-dihydro-1-benzofuran-4-yl)-N,N-dimethylmethanamine
CID 141164132
ethyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 141207282
[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine
CID 18787377
[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol
CID 123498759
methyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 130045390

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one?
The IUPAC name of 1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one (CID 20778840) is 1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one.
What is the SMILES notation for 1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one?
The canonical SMILES for 1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one is CCC(=O)C1C(c2cccc3c2CCO3)C1(C)C.
What is the InChIKey of 1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one?
The InChIKey is MIISGRKWGCEYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-4-12(17)15-14(16(15,2)3)11-6-5-7-13-10(11)8-9-18-13/h5-7,14-15H,4,8-9H2,1-3H3.
What are the key properties of 1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one?
1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one is sourced from PubChem (CID 20778840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).