1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole

C24H20F3NOS — CID 118908923

IUPAC1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole
SMILESCOCn1c(-c2ccccc2)c(/C(=C\C(F)(F)F)c2cccs2)c2ccc(C)cc21
InChIInChI=1S/C24H20F3NOS/c1-16-10-11-18-20(13-16)28(15-29-2)23(17-7-4-3-5-8-17)22(18)19(14-24(25,26)27)21-9-6-12-30-21/h3-14H,15H2,1-2H3/b19-14-
InChIKeyKDUSHZJHEGJRJL-RGEXLXHISA-N
MW427.49 g/mol
LogP7.28
Rot. Bonds5

About 1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole

1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole (PubChem CID 118908923) has the molecular formula C24H20F3NOS and a molecular weight of 427.49 g/mol. Its IUPAC name is 1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole.

Molecular Properties

Compound Name1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole
PubChem CID118908923
Molecular FormulaC24H20F3NOS
Molecular Weight427.49 g/mol
Exact Mass427.12
IUPAC Name1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole
SMILESCOCn1c(-c2ccccc2)c(/C(=C\C(F)(F)F)c2cccs2)c2ccc(C)cc21
InChIInChI=1S/C24H20F3NOS/c1-16-10-11-18-20(13-16)28(15-29-2)23(17-7-4-3-5-8-17)22(18)19(14-24(25,26)27)21-9-6-12-30-21/h3-14H,15H2,1-2H3/b19-14-
InChIKeyKDUSHZJHEGJRJL-RGEXLXHISA-N
XLogP7.28
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.49
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole?
The IUPAC name of 1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole (CID 118908923) is 1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole.
What is the SMILES notation for 1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole?
The canonical SMILES for 1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole is COCn1c(-c2ccccc2)c(/C(=C\C(F)(F)F)c2cccs2)c2ccc(C)cc21.
What is the InChIKey of 1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole?
The InChIKey is KDUSHZJHEGJRJL-RGEXLXHISA-N. The full InChI is InChI=1S/C24H20F3NOS/c1-16-10-11-18-20(13-16)28(15-29-2)23(17-7-4-3-5-8-17)22(18)19(14-24(25,26)27)21-9-6-12-30-21/h3-14H,15H2,1-2H3/b19-14-.
What are the key properties of 1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole?
1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole has a molecular weight of 427.49 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-6-methyl-2-phenyl-3-[(E)-3,3,3-trifluoro-1-thiophen-2-ylprop-1-enyl]indole is sourced from PubChem (CID 118908923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).