1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one

C16H16O2 — CID 14764547

IUPAC1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one
SMILESCOC1(C)CC2(C=CC(=O)C=C2)c2ccccc21
InChIInChI=1S/C16H16O2/c1-15(18-2)11-16(9-7-12(17)8-10-16)14-6-4-3-5-13(14)15/h3-10H,11H2,1-2H3
InChIKeyRFQLZEYTUDFYTP-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.88
Rot. Bonds1

About 1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one

1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one (PubChem CID 14764547) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one.

Molecular Properties

Compound Name1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one
PubChem CID14764547
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one
SMILESCOC1(C)CC2(C=CC(=O)C=C2)c2ccccc21
InChIInChI=1S/C16H16O2/c1-15(18-2)11-16(9-7-12(17)8-10-16)14-6-4-3-5-13(14)15/h3-10H,11H2,1-2H3
InChIKeyRFQLZEYTUDFYTP-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one?
The IUPAC name of 1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one (CID 14764547) is 1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one.
What is the SMILES notation for 1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one?
The canonical SMILES for 1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one is COC1(C)CC2(C=CC(=O)C=C2)c2ccccc21.
What is the InChIKey of 1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one?
The InChIKey is RFQLZEYTUDFYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-15(18-2)11-16(9-7-12(17)8-10-16)14-6-4-3-5-13(14)15/h3-10H,11H2,1-2H3.
What are the key properties of 1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one?
1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one has a molecular weight of 240.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one is sourced from PubChem (CID 14764547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).