2,2,4,6-tetramethyl-4H-chromen-3-one

C13H16O2 — CID 12507117

IUPAC2,2,4,6-tetramethyl-4H-chromen-3-one
SMILESCc1ccc2c(c1)C(C)C(=O)C(C)(C)O2
InChIInChI=1S/C13H16O2/c1-8-5-6-11-10(7-8)9(2)12(14)13(3,4)15-11/h5-7,9H,1-4H3
InChIKeyCFWUEBDSDJMVCV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.84
Rot. Bonds

About 2,2,4,6-tetramethyl-4H-chromen-3-one

2,2,4,6-tetramethyl-4H-chromen-3-one (PubChem CID 12507117) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,2,4,6-tetramethyl-4H-chromen-3-one.

Molecular Properties

Compound Name2,2,4,6-tetramethyl-4H-chromen-3-one
PubChem CID12507117
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2,2,4,6-tetramethyl-4H-chromen-3-one
SMILESCc1ccc2c(c1)C(C)C(=O)C(C)(C)O2
InChIInChI=1S/C13H16O2/c1-8-5-6-11-10(7-8)9(2)12(14)13(3,4)15-11/h5-7,9H,1-4H3
InChIKeyCFWUEBDSDJMVCV-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,6-tetramethyl-4H-chromen-3-one?
The IUPAC name of 2,2,4,6-tetramethyl-4H-chromen-3-one (CID 12507117) is 2,2,4,6-tetramethyl-4H-chromen-3-one.
What is the SMILES notation for 2,2,4,6-tetramethyl-4H-chromen-3-one?
The canonical SMILES for 2,2,4,6-tetramethyl-4H-chromen-3-one is Cc1ccc2c(c1)C(C)C(=O)C(C)(C)O2.
What is the InChIKey of 2,2,4,6-tetramethyl-4H-chromen-3-one?
The InChIKey is CFWUEBDSDJMVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-8-5-6-11-10(7-8)9(2)12(14)13(3,4)15-11/h5-7,9H,1-4H3.
What are the key properties of 2,2,4,6-tetramethyl-4H-chromen-3-one?
2,2,4,6-tetramethyl-4H-chromen-3-one has a molecular weight of 204.27 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6-tetramethyl-4H-chromen-3-one is sourced from PubChem (CID 12507117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).