3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran

C15H18O — CID 176741772

IUPAC3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran
SMILESCC(C)(C)c1coc2c3c(ccc12)CCC3
InChIInChI=1S/C15H18O/c1-15(2,3)13-9-16-14-11-6-4-5-10(11)7-8-12(13)14/h7-9H,4-6H2,1-3H3
InChIKeyXGQGELKYELHWLJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.22
Rot. Bonds

About 3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran

3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran (PubChem CID 176741772) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran.

Molecular Properties

Compound Name3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran
PubChem CID176741772
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran
SMILESCC(C)(C)c1coc2c3c(ccc12)CCC3
InChIInChI=1S/C15H18O/c1-15(2,3)13-9-16-14-11-6-4-5-10(11)7-8-12(13)14/h7-9H,4-6H2,1-3H3
InChIKeyXGQGELKYELHWLJ-UHFFFAOYSA-N
XLogP4.22
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran?
The IUPAC name of 3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran (CID 176741772) is 3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran.
What is the SMILES notation for 3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran?
The canonical SMILES for 3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran is CC(C)(C)c1coc2c3c(ccc12)CCC3.
What is the InChIKey of 3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran?
The InChIKey is XGQGELKYELHWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-15(2,3)13-9-16-14-11-6-4-5-10(11)7-8-12(13)14/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran?
3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran has a molecular weight of 214.31 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7,8-dihydro-6H-cyclopenta[g][1]benzofuran is sourced from PubChem (CID 176741772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).