4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol

C23H24F3NO2 — CID 10150825

IUPAC4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol
SMILESCC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cccc2c1OCC2
InChIInChI=1S/C23H24F3NO2/c1-21(2,18-8-5-7-15-10-11-29-20(15)18)14-22(28,23(24,25)26)13-17-12-16-6-3-4-9-19(16)27-17/h3-9,12,27-28H,10-11,13-14H2,1-2H3
InChIKeyNNTHLQVZGURUAX-UHFFFAOYSA-N
MW403.44 g/mol
LogP5.31
Rot. Bonds5

About 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol

4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol (PubChem CID 10150825) has the molecular formula C23H24F3NO2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol
PubChem CID10150825
Molecular FormulaC23H24F3NO2
Molecular Weight403.44 g/mol
Exact Mass403.18
IUPAC Name4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol
SMILESCC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cccc2c1OCC2
InChIInChI=1S/C23H24F3NO2/c1-21(2,18-8-5-7-15-10-11-29-20(15)18)14-22(28,23(24,25)26)13-17-12-16-6-3-4-9-19(16)27-17/h3-9,12,27-28H,10-11,13-14H2,1-2H3
InChIKeyNNTHLQVZGURUAX-UHFFFAOYSA-N
XLogP5.31
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol (CID 10150825) is 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol is CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cccc2c1OCC2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol?
The InChIKey is NNTHLQVZGURUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO2/c1-21(2,18-8-5-7-15-10-11-29-20(15)18)14-22(28,23(24,25)26)13-17-12-16-6-3-4-9-19(16)27-17/h3-9,12,27-28H,10-11,13-14H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol?
4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol has a molecular weight of 403.44 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methylpentan-2-ol is sourced from PubChem (CID 10150825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).