[5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate

C19H14F3NO4 — CID 11474366

IUPAC[5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate
SMILESCC(=O)Oc1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2ccc(O)cc12
InChIInChI=1S/C19H14F3NO4/c1-10-17(27-11(2)24)15-9-14(25)7-8-16(15)23(10)18(26)12-3-5-13(6-4-12)19(20,21)22/h3-9,25H,1-2H3
InChIKeyGXHDYGXYIKEABM-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.29
Rot. Bonds2

About [5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate

[5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate (PubChem CID 11474366) has the molecular formula C19H14F3NO4 and a molecular weight of 377.32 g/mol. Its IUPAC name is [5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate.

Molecular Properties

Compound Name[5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate
PubChem CID11474366
Molecular FormulaC19H14F3NO4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC Name[5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate
SMILESCC(=O)Oc1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2ccc(O)cc12
InChIInChI=1S/C19H14F3NO4/c1-10-17(27-11(2)24)15-9-14(25)7-8-16(15)23(10)18(26)12-3-5-13(6-4-12)19(20,21)22/h3-9,25H,1-2H3
InChIKeyGXHDYGXYIKEABM-UHFFFAOYSA-N
XLogP4.29
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate?
The IUPAC name of [5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate (CID 11474366) is [5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate.
What is the SMILES notation for [5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate?
The canonical SMILES for [5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate is CC(=O)Oc1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2ccc(O)cc12.
What is the InChIKey of [5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate?
The InChIKey is GXHDYGXYIKEABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4/c1-10-17(27-11(2)24)15-9-14(25)7-8-16(15)23(10)18(26)12-3-5-13(6-4-12)19(20,21)22/h3-9,25H,1-2H3.
What are the key properties of [5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate?
[5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate has a molecular weight of 377.32 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl] acetate is sourced from PubChem (CID 11474366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).