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

C15H20O — CID 144594164

IUPAC4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]
SMILESCOc1ccc(C)c2c1C1(CCCC1)CC2
InChIInChI=1S/C15H20O/c1-11-5-6-13(16-2)14-12(11)7-10-15(14)8-3-4-9-15/h5-6H,3-4,7-10H2,1-2H3
InChIKeyALLNAFPZNNUUNH-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.76
Rot. Bonds1

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

4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane] (PubChem CID 144594164) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane].

Molecular Properties

Compound Name4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]
PubChem CID144594164
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]
SMILESCOc1ccc(C)c2c1C1(CCCC1)CC2
InChIInChI=1S/C15H20O/c1-11-5-6-13(16-2)14-12(11)7-10-15(14)8-3-4-9-15/h5-6H,3-4,7-10H2,1-2H3
InChIKeyALLNAFPZNNUUNH-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]?
The IUPAC name of 4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane] (CID 144594164) is 4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane].
What is the SMILES notation for 4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]?
The canonical SMILES for 4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane] is COc1ccc(C)c2c1C1(CCCC1)CC2.
What is the InChIKey of 4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]?
The InChIKey is ALLNAFPZNNUUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11-5-6-13(16-2)14-12(11)7-10-15(14)8-3-4-9-15/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]?
4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane] has a molecular weight of 216.32 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane] is sourced from PubChem (CID 144594164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).