1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid

C17H14F3NO3 — CID 174655125

IUPAC1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC1c2c(cc(-c3ccccc3)cc2C(F)(F)F)N(O)C1C(=O)O
InChIInChI=1S/C17H14F3NO3/c1-9-14-12(17(18,19)20)7-11(10-5-3-2-4-6-10)8-13(14)21(24)15(9)16(22)23/h2-9,15,24H,1H3,(H,22,23)
InChIKeyKCFCCASKLDJKHL-UHFFFAOYSA-N
MW337.30 g/mol
LogP4.14
Rot. Bonds2

About 1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid

1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 174655125) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID174655125
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC1c2c(cc(-c3ccccc3)cc2C(F)(F)F)N(O)C1C(=O)O
InChIInChI=1S/C17H14F3NO3/c1-9-14-12(17(18,19)20)7-11(10-5-3-2-4-6-10)8-13(14)21(24)15(9)16(22)23/h2-9,15,24H,1H3,(H,22,23)
InChIKeyKCFCCASKLDJKHL-UHFFFAOYSA-N
XLogP4.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid (CID 174655125) is 1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid is CC1c2c(cc(-c3ccccc3)cc2C(F)(F)F)N(O)C1C(=O)O.
What is the InChIKey of 1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is KCFCCASKLDJKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3/c1-9-14-12(17(18,19)20)7-11(10-5-3-2-4-6-10)8-13(14)21(24)15(9)16(22)23/h2-9,15,24H,1H3,(H,22,23).
What are the key properties of 1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid?
1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 337.30 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-6-phenyl-4-(trifluoromethyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 174655125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).