3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one

C19H12F3NO3 — CID 10981232

IUPAC3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1c(O)ccc2ccccc12
InChIInChI=1S/C19H12F3NO3/c20-19(21,22)11-6-7-13-14(9-11)23-17(25)18(13,26)16-12-4-2-1-3-10(12)5-8-15(16)24/h1-9,24,26H,(H,23,25)
InChIKeyDUTIEFRXZWLKBA-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.75
Rot. Bonds1

About 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one

3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 10981232) has the molecular formula C19H12F3NO3 and a molecular weight of 359.30 g/mol. Its IUPAC name is 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID10981232
Molecular FormulaC19H12F3NO3
Molecular Weight359.30 g/mol
Exact Mass359.08
IUPAC Name3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1c(O)ccc2ccccc12
InChIInChI=1S/C19H12F3NO3/c20-19(21,22)11-6-7-13-14(9-11)23-17(25)18(13,26)16-12-4-2-1-3-10(12)5-8-15(16)24/h1-9,24,26H,(H,23,25)
InChIKeyDUTIEFRXZWLKBA-UHFFFAOYSA-N
XLogP3.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one (CID 10981232) is 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1c(O)ccc2ccccc12.
What is the InChIKey of 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is DUTIEFRXZWLKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO3/c20-19(21,22)11-6-7-13-14(9-11)23-17(25)18(13,26)16-12-4-2-1-3-10(12)5-8-15(16)24/h1-9,24,26H,(H,23,25).
What are the key properties of 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one?
3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 359.30 g/mol, XLogP of 3.75, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 10981232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).