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

C17H18O3 — CID 10659661

IUPAC3,5-dimethoxy-3-methylspiro[2H-indene-1,4'-cyclohexa-2,5-diene]-1'-one
SMILESCOc1ccc2c(c1)C(C)(OC)CC21C=CC(=O)C=C1
InChIInChI=1S/C17H18O3/c1-16(20-3)11-17(8-6-12(18)7-9-17)14-5-4-13(19-2)10-15(14)16/h4-10H,11H2,1-3H3
InChIKeyFAOKEJAUEMSKPT-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.89
Rot. Bonds2

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

3,5-dimethoxy-3-methylspiro[2H-indene-1,4'-cyclohexa-2,5-diene]-1'-one (PubChem CID 10659661) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3,5-dimethoxy-3-methylspiro[2H-indene-1,4'-cyclohexa-2,5-diene]-1'-one.

Molecular Properties

Compound Name3,5-dimethoxy-3-methylspiro[2H-indene-1,4'-cyclohexa-2,5-diene]-1'-one
PubChem CID10659661
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3,5-dimethoxy-3-methylspiro[2H-indene-1,4'-cyclohexa-2,5-diene]-1'-one
SMILESCOc1ccc2c(c1)C(C)(OC)CC21C=CC(=O)C=C1
InChIInChI=1S/C17H18O3/c1-16(20-3)11-17(8-6-12(18)7-9-17)14-5-4-13(19-2)10-15(14)16/h4-10H,11H2,1-3H3
InChIKeyFAOKEJAUEMSKPT-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-3-methylspiro[2H-indene-1,4'-cyclohexa-2,5-diene]-1'-one?
The IUPAC name of 3,5-dimethoxy-3-methylspiro[2H-indene-1,4'-cyclohexa-2,5-diene]-1'-one (CID 10659661) is 3,5-dimethoxy-3-methylspiro[2H-indene-1,4'-cyclohexa-2,5-diene]-1'-one.
What is the SMILES notation for 3,5-dimethoxy-3-methylspiro[2H-indene-1,4'-cyclohexa-2,5-diene]-1'-one?
The canonical SMILES for 3,5-dimethoxy-3-methylspiro[2H-indene-1,4'-cyclohexa-2,5-diene]-1'-one is COc1ccc2c(c1)C(C)(OC)CC21C=CC(=O)C=C1.
What is the InChIKey of 3,5-dimethoxy-3-methylspiro[2H-indene-1,4'-cyclohexa-2,5-diene]-1'-one?
The InChIKey is FAOKEJAUEMSKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-16(20-3)11-17(8-6-12(18)7-9-17)14-5-4-13(19-2)10-15(14)16/h4-10H,11H2,1-3H3.
What are the key properties of 3,5-dimethoxy-3-methylspiro[2H-indene-1,4'-cyclohexa-2,5-diene]-1'-one?
3,5-dimethoxy-3-methylspiro[2H-indene-1,4'-cyclohexa-2,5-diene]-1'-one has a molecular weight of 270.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-3-methylspiro[2H-indene-1,4'-cyclohexa-2,5-diene]-1'-one is sourced from PubChem (CID 10659661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).