2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole

C17H16F3NO — CID 3347331

IUPAC2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(C2Cc3cccc(C(F)(F)F)c3N2)cc1C
InChIInChI=1S/C17H16F3NO/c1-10-8-11(6-7-15(10)22-2)14-9-12-4-3-5-13(16(12)21-14)17(18,19)20/h3-8,14,21H,9H2,1-2H3
InChIKeyAUJQHEYDLRWUGF-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.73
Rot. Bonds2

About 2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole

2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 3347331) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID3347331
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(C2Cc3cccc(C(F)(F)F)c3N2)cc1C
InChIInChI=1S/C17H16F3NO/c1-10-8-11(6-7-15(10)22-2)14-9-12-4-3-5-13(16(12)21-14)17(18,19)20/h3-8,14,21H,9H2,1-2H3
InChIKeyAUJQHEYDLRWUGF-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 3347331) is 2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole is COc1ccc(C2Cc3cccc(C(F)(F)F)c3N2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is AUJQHEYDLRWUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-10-8-11(6-7-15(10)22-2)14-9-12-4-3-5-13(16(12)21-14)17(18,19)20/h3-8,14,21H,9H2,1-2H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 307.32 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3347331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).