1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone

C20H22O2 — CID 18717540

IUPAC1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone
SMILESCC(=O)c1c(C)ccc(C)c1C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H22O2/c1-11-9-14(4)17(15(5)10-11)20(22)19-13(3)8-7-12(2)18(19)16(6)21/h7-10H,1-6H3
InChIKeyUURVLTJLHMBIBN-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.66
Rot. Bonds3

About 1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone

1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone (PubChem CID 18717540) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone
PubChem CID18717540
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone
SMILESCC(=O)c1c(C)ccc(C)c1C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H22O2/c1-11-9-14(4)17(15(5)10-11)20(22)19-13(3)8-7-12(2)18(19)16(6)21/h7-10H,1-6H3
InChIKeyUURVLTJLHMBIBN-UHFFFAOYSA-N
XLogP4.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone?
The IUPAC name of 1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone (CID 18717540) is 1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone.
What is the SMILES notation for 1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone?
The canonical SMILES for 1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone is CC(=O)c1c(C)ccc(C)c1C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone?
The InChIKey is UURVLTJLHMBIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-11-9-14(4)17(15(5)10-11)20(22)19-13(3)8-7-12(2)18(19)16(6)21/h7-10H,1-6H3.
What are the key properties of 1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone?
1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone has a molecular weight of 294.39 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone is sourced from PubChem (CID 18717540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).