4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane]

C15H20O2 — CID 90137521

IUPAC4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane]
SMILESCOc1ccc(OC)c2c1CC1(CCCC1)C2
InChIInChI=1S/C15H20O2/c1-16-13-5-6-14(17-2)12-10-15(9-11(12)13)7-3-4-8-15/h5-6H,3-4,7-10H2,1-2H3
InChIKeyGHQBQKXRWSTCLC-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.36
Rot. Bonds2

About 4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane]

4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane] (PubChem CID 90137521) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane].

Molecular Properties

Compound Name4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane]
PubChem CID90137521
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane]
SMILESCOc1ccc(OC)c2c1CC1(CCCC1)C2
InChIInChI=1S/C15H20O2/c1-16-13-5-6-14(17-2)12-10-15(9-11(12)13)7-3-4-8-15/h5-6H,3-4,7-10H2,1-2H3
InChIKeyGHQBQKXRWSTCLC-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane]?
The IUPAC name of 4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane] (CID 90137521) is 4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane].
What is the SMILES notation for 4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane]?
The canonical SMILES for 4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane] is COc1ccc(OC)c2c1CC1(CCCC1)C2.
What is the InChIKey of 4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane]?
The InChIKey is GHQBQKXRWSTCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-16-13-5-6-14(17-2)12-10-15(9-11(12)13)7-3-4-8-15/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane]?
4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane] has a molecular weight of 232.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxyspiro[1,3-dihydroindene-2,1'-cyclopentane] is sourced from PubChem (CID 90137521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).