1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone

C24H20O3 — CID 171503176

IUPAC1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone
SMILESCC(=O)c1ccccc1C(=O)c1ccc2c(c1)C(C)(C)c1ccccc1O2
InChIInChI=1S/C24H20O3/c1-15(25)17-8-4-5-9-18(17)23(26)16-12-13-22-20(14-16)24(2,3)19-10-6-7-11-21(19)27-22/h4-14H,1-3H3
InChIKeyZYSWRZVZKCRAEG-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.55
Rot. Bonds3

About 1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone

1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone (PubChem CID 171503176) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone
PubChem CID171503176
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone
SMILESCC(=O)c1ccccc1C(=O)c1ccc2c(c1)C(C)(C)c1ccccc1O2
InChIInChI=1S/C24H20O3/c1-15(25)17-8-4-5-9-18(17)23(26)16-12-13-22-20(14-16)24(2,3)19-10-6-7-11-21(19)27-22/h4-14H,1-3H3
InChIKeyZYSWRZVZKCRAEG-UHFFFAOYSA-N
XLogP5.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate
CID 10711221
4-(2-acetylbenzoyl)phthalic acid
CID 71123619
2-bromo-1-[6-(2-bromoacetyl)-9,9-dimethylxanthen-2-yl]ethanone
CID 88948369
9,9-dimethylxanthene-2-sulfonyl chloride
CID 63669162
CID 166569822
CID 166569822
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
spiro[1H-2-benzofuran-3,9'-xanthene]-5-carboxylic acid
CID 151870020
9,9-dimethylxanthene;triphenylphosphane
CID 175584517
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
9,9-dimethylxanthene-1,2-diol
CID 150510320

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone?
The IUPAC name of 1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone (CID 171503176) is 1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone is CC(=O)c1ccccc1C(=O)c1ccc2c(c1)C(C)(C)c1ccccc1O2.
What is the InChIKey of 1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone?
The InChIKey is ZYSWRZVZKCRAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c1-15(25)17-8-4-5-9-18(17)23(26)16-12-13-22-20(14-16)24(2,3)19-10-6-7-11-21(19)27-22/h4-14H,1-3H3.
What are the key properties of 1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone?
1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone has a molecular weight of 356.42 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9,9-dimethylxanthene-2-carbonyl)phenyl]ethanone is sourced from PubChem (CID 171503176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).