1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole

C23H18F3NO2 — CID 11545730

IUPAC1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole
SMILESCOc1ccc(-n2c(-c3ccc(C(F)(F)F)cc3)cc3ccccc32)cc1OC
InChIInChI=1S/C23H18F3NO2/c1-28-21-12-11-18(14-22(21)29-2)27-19-6-4-3-5-16(19)13-20(27)15-7-9-17(10-8-15)23(24,25)26/h3-14H,1-2H3
InChIKeyFPPSSIQTSKGBOS-UHFFFAOYSA-N
MW397.40 g/mol
LogP6.33
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole

1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole (PubChem CID 11545730) has the molecular formula C23H18F3NO2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole
PubChem CID11545730
Molecular FormulaC23H18F3NO2
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole
SMILESCOc1ccc(-n2c(-c3ccc(C(F)(F)F)cc3)cc3ccccc32)cc1OC
InChIInChI=1S/C23H18F3NO2/c1-28-21-12-11-18(14-22(21)29-2)27-19-6-4-3-5-16(19)13-20(27)15-7-9-17(10-8-15)23(24,25)26/h3-14H,1-2H3
InChIKeyFPPSSIQTSKGBOS-UHFFFAOYSA-N
XLogP6.33
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.40
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole (CID 11545730) is 1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole is COc1ccc(-n2c(-c3ccc(C(F)(F)F)cc3)cc3ccccc32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole?
The InChIKey is FPPSSIQTSKGBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO2/c1-28-21-12-11-18(14-22(21)29-2)27-19-6-4-3-5-16(19)13-20(27)15-7-9-17(10-8-15)23(24,25)26/h3-14H,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole?
1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole has a molecular weight of 397.40 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 11545730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).