2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione

C17H11F3O3 — CID 154353850

IUPAC2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione
SMILESCOc1ccccc1C1C(=O)c2ccc(C(F)(F)F)cc2C1=O
InChIInChI=1S/C17H11F3O3/c1-23-13-5-3-2-4-11(13)14-15(21)10-7-6-9(17(18,19)20)8-12(10)16(14)22/h2-8,14H,1H3
InChIKeyVPXFIPZXLLVNFO-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.88
Rot. Bonds2

About 2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione

2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione (PubChem CID 154353850) has the molecular formula C17H11F3O3 and a molecular weight of 320.27 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione
PubChem CID154353850
Molecular FormulaC17H11F3O3
Molecular Weight320.27 g/mol
Exact Mass320.07
IUPAC Name2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione
SMILESCOc1ccccc1C1C(=O)c2ccc(C(F)(F)F)cc2C1=O
InChIInChI=1S/C17H11F3O3/c1-23-13-5-3-2-4-11(13)14-15(21)10-7-6-9(17(18,19)20)8-12(10)16(14)22/h2-8,14H,1H3
InChIKeyVPXFIPZXLLVNFO-UHFFFAOYSA-N
XLogP3.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[(1S,3S)-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropyl]methanamine
CID 178197711
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
2-[(2-methoxyphenyl)methyl]-3-oxo-6-(trifluoromethyl)-1H-isoindole-1-carbonitrile
CID 110449099
3-benzhydrylidene-2-phenyl-5-(trifluoromethyl)inden-1-one
CID 134854314
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
2-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]furan
CID 168524965
6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 53218223
2-[2-(2-methoxyphenyl)-4-(trifluoromethyl)phenyl]acetonitrile
CID 172650232
2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one
CID 84706087
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
CID 46317325
[4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 168665249
2-[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]-3-methylbutane-1-sulfonamide
CID 68932963

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione?
The IUPAC name of 2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione (CID 154353850) is 2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione?
The canonical SMILES for 2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione is COc1ccccc1C1C(=O)c2ccc(C(F)(F)F)cc2C1=O.
What is the InChIKey of 2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione?
The InChIKey is VPXFIPZXLLVNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3O3/c1-23-13-5-3-2-4-11(13)14-15(21)10-7-6-9(17(18,19)20)8-12(10)16(14)22/h2-8,14H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione?
2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione has a molecular weight of 320.27 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione is sourced from PubChem (CID 154353850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).