(5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone

C17H12F3NO3 — CID 11056762

IUPAC(5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCOc1ccc2[nH]c(C(=O)c3cccc(OC(F)(F)F)c3)cc2c1
InChIInChI=1S/C17H12F3NO3/c1-23-12-5-6-14-11(8-12)9-15(21-14)16(22)10-3-2-4-13(7-10)24-17(18,19)20/h2-9,21H,1H3
InChIKeyWVXUHLSCANGASY-UHFFFAOYSA-N
MW335.28 g/mol
LogP4.31
Rot. Bonds4

About (5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone

(5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 11056762) has the molecular formula C17H12F3NO3 and a molecular weight of 335.28 g/mol. Its IUPAC name is (5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID11056762
Molecular FormulaC17H12F3NO3
Molecular Weight335.28 g/mol
Exact Mass335.08
IUPAC Name(5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCOc1ccc2[nH]c(C(=O)c3cccc(OC(F)(F)F)c3)cc2c1
InChIInChI=1S/C17H12F3NO3/c1-23-12-5-6-14-11(8-12)9-15(21-14)16(22)10-3-2-4-13(7-10)24-17(18,19)20/h2-9,21H,1H3
InChIKeyWVXUHLSCANGASY-UHFFFAOYSA-N
XLogP4.31
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone (CID 11056762) is (5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone is COc1ccc2[nH]c(C(=O)c3cccc(OC(F)(F)F)c3)cc2c1.
What is the InChIKey of (5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is WVXUHLSCANGASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO3/c1-23-12-5-6-14-11(8-12)9-15(21-14)16(22)10-3-2-4-13(7-10)24-17(18,19)20/h2-9,21H,1H3.
What are the key properties of (5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone?
(5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 335.28 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-2-yl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 11056762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).