3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol

C20H20F3NO — CID 44595398

IUPAC3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCc1cccc2c(C(CCO)c3ccc(C(F)(F)F)cc3)c[nH]c12
InChIInChI=1S/C20H20F3NO/c1-2-13-4-3-5-17-18(12-24-19(13)17)16(10-11-25)14-6-8-15(9-7-14)20(21,22)23/h3-9,12,16,24-25H,2,10-11H2,1H3
InChIKeyVSKCLSAYFAGEBF-UHFFFAOYSA-N
MW347.38 g/mol
LogP5.26
Rot. Bonds5

About 3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol

3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 44595398) has the molecular formula C20H20F3NO and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID44595398
Molecular FormulaC20H20F3NO
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCc1cccc2c(C(CCO)c3ccc(C(F)(F)F)cc3)c[nH]c12
InChIInChI=1S/C20H20F3NO/c1-2-13-4-3-5-17-18(12-24-19(13)17)16(10-11-25)14-6-8-15(9-7-14)20(21,22)23/h3-9,12,16,24-25H,2,10-11H2,1H3
InChIKeyVSKCLSAYFAGEBF-UHFFFAOYSA-N
XLogP5.26
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.38
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 44595398) is 3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol is CCc1cccc2c(C(CCO)c3ccc(C(F)(F)F)cc3)c[nH]c12.
What is the InChIKey of 3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is VSKCLSAYFAGEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO/c1-2-13-4-3-5-17-18(12-24-19(13)17)16(10-11-25)14-6-8-15(9-7-14)20(21,22)23/h3-9,12,16,24-25H,2,10-11H2,1H3.
What are the key properties of 3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 347.38 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 44595398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).