2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one

C15H18O3 — CID 83049104

IUPAC2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one
SMILESCCCC1Oc2c(ccc3c2OC(C)(C)C3)C1=O
InChIInChI=1S/C15H18O3/c1-4-5-11-12(16)10-7-6-9-8-15(2,3)18-13(9)14(10)17-11/h6-7,11H,4-5,8H2,1-3H3
InChIKeyWIENINDRUPSQQF-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.14
Rot. Bonds2

About 2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one

2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one (PubChem CID 83049104) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one.

Molecular Properties

Compound Name2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one
PubChem CID83049104
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one
SMILESCCCC1Oc2c(ccc3c2OC(C)(C)C3)C1=O
InChIInChI=1S/C15H18O3/c1-4-5-11-12(16)10-7-6-9-8-15(2,3)18-13(9)14(10)17-11/h6-7,11H,4-5,8H2,1-3H3
InChIKeyWIENINDRUPSQQF-UHFFFAOYSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3,7,8,9-tetrahydrofuro[3,2-i][1]benzoxepin-6-one
CID 43154982
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one
CID 103439665
6-fluoro-2-propyl-1-benzofuran-3-one
CID 83050185
5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one
CID 113441329
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
8-ethyl-2,2-dimethyl-3H-chromen-4-one
CID 64698496
N-[(2,2,6-trimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)methyl]cyclopropanamine
CID 81041078
2-propyl-6-(trifluoromethyl)-1-benzofuran-3-one
CID 172506984
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 126777889
6-[2-(6-tert-butyl-2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-4-hydroxyoxan-2-one
CID 19781071
5-chloro-2-propyl-1-benzofuran-3-one
CID 83049384
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
CID 64509473

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one?
The IUPAC name of 2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one (CID 83049104) is 2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one.
What is the SMILES notation for 2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one?
The canonical SMILES for 2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one is CCCC1Oc2c(ccc3c2OC(C)(C)C3)C1=O.
What is the InChIKey of 2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one?
The InChIKey is WIENINDRUPSQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-4-5-11-12(16)10-7-6-9-8-15(2,3)18-13(9)14(10)17-11/h6-7,11H,4-5,8H2,1-3H3.
What are the key properties of 2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one?
2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one has a molecular weight of 246.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-propyl-3H-furo[3,2-g][1]benzofuran-6-one is sourced from PubChem (CID 83049104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).