4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol

C24H28F3NO2 — CID 10216478

IUPAC4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol
SMILESCCc1cccc(C(C)(C)CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)c1OC
InChIInChI=1S/C24H28F3NO2/c1-5-16-10-8-11-19(21(16)30-4)22(2,3)15-23(29,24(25,26)27)14-18-13-17-9-6-7-12-20(17)28-18/h6-13,28-29H,5,14-15H2,1-4H3
InChIKeySDWHNRRHSCXODH-UHFFFAOYSA-N
MW419.49 g/mol
LogP5.94
Rot. Bonds7

About 4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol

4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol (PubChem CID 10216478) has the molecular formula C24H28F3NO2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol
PubChem CID10216478
Molecular FormulaC24H28F3NO2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol
SMILESCCc1cccc(C(C)(C)CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)c1OC
InChIInChI=1S/C24H28F3NO2/c1-5-16-10-8-11-19(21(16)30-4)22(2,3)15-23(29,24(25,26)27)14-18-13-17-9-6-7-12-20(17)28-18/h6-13,28-29H,5,14-15H2,1-4H3
InChIKeySDWHNRRHSCXODH-UHFFFAOYSA-N
XLogP5.94
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.49
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol?
The IUPAC name of 4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol (CID 10216478) is 4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol.
What is the SMILES notation for 4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol?
The canonical SMILES for 4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol is CCc1cccc(C(C)(C)CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)c1OC.
What is the InChIKey of 4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol?
The InChIKey is SDWHNRRHSCXODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3NO2/c1-5-16-10-8-11-19(21(16)30-4)22(2,3)15-23(29,24(25,26)27)14-18-13-17-9-6-7-12-20(17)28-18/h6-13,28-29H,5,14-15H2,1-4H3.
What are the key properties of 4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol?
4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol has a molecular weight of 419.49 g/mol, XLogP of 5.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol is sourced from PubChem (CID 10216478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).