7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one

C14H18O2 — CID 14873448

IUPAC7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one
SMILESCOc1c(C)cc(C)c2c1C(=O)C(C)(C)C2
InChIInChI=1S/C14H18O2/c1-8-6-9(2)12(16-5)11-10(8)7-14(3,4)13(11)15/h6H,7H2,1-5H3
InChIKeyISYSRDXPXBGYBY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.08
Rot. Bonds1

About 7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one

7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one (PubChem CID 14873448) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one.

Molecular Properties

Compound Name7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one
PubChem CID14873448
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one
SMILESCOc1c(C)cc(C)c2c1C(=O)C(C)(C)C2
InChIInChI=1S/C14H18O2/c1-8-6-9(2)12(16-5)11-10(8)7-14(3,4)13(11)15/h6H,7H2,1-5H3
InChIKeyISYSRDXPXBGYBY-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one?
The IUPAC name of 7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one (CID 14873448) is 7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one.
What is the SMILES notation for 7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one?
The canonical SMILES for 7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one is COc1c(C)cc(C)c2c1C(=O)C(C)(C)C2.
What is the InChIKey of 7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one?
The InChIKey is ISYSRDXPXBGYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-8-6-9(2)12(16-5)11-10(8)7-14(3,4)13(11)15/h6H,7H2,1-5H3.
What are the key properties of 7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one?
7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2,4,6-tetramethyl-3H-inden-1-one is sourced from PubChem (CID 14873448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).