[7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol

C18H16F3NO — CID 90133319

IUPAC[7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol
SMILESCc1c(CO)ccc2ccn(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C18H16F3NO/c1-12-15(11-23)5-4-14-8-9-22(17(12)14)10-13-2-6-16(7-3-13)18(19,20)21/h2-9,23H,10-11H2,1H3
InChIKeyLNUYQIBYNILONI-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.51
Rot. Bonds3

About [7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol

[7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol (PubChem CID 90133319) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is [7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol.

Molecular Properties

Compound Name[7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol
PubChem CID90133319
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name[7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol
SMILESCc1c(CO)ccc2ccn(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C18H16F3NO/c1-12-15(11-23)5-4-14-8-9-22(17(12)14)10-13-2-6-16(7-3-13)18(19,20)21/h2-9,23H,10-11H2,1H3
InChIKeyLNUYQIBYNILONI-UHFFFAOYSA-N
XLogP4.51
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol?
The IUPAC name of [7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol (CID 90133319) is [7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol.
What is the SMILES notation for [7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol?
The canonical SMILES for [7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol is Cc1c(CO)ccc2ccn(Cc3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of [7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol?
The InChIKey is LNUYQIBYNILONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c1-12-15(11-23)5-4-14-8-9-22(17(12)14)10-13-2-6-16(7-3-13)18(19,20)21/h2-9,23H,10-11H2,1H3.
What are the key properties of [7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol?
[7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol has a molecular weight of 319.33 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-6-yl]methanol is sourced from PubChem (CID 90133319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).