4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol

C16H13F3N2O2 — CID 135511925

IUPAC4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol
SMILESOCCn1nc(-c2ccc(O)cc2)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)13-3-1-2-12-14(10-4-6-11(23)7-5-10)20-21(8-9-22)15(12)13/h1-7,22-23H,8-9H2
InChIKeyOSSCGRZBJBJCLX-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.42
Rot. Bonds3

About 4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol

4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol (PubChem CID 135511925) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol.

Molecular Properties

Compound Name4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol
PubChem CID135511925
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol
SMILESOCCn1nc(-c2ccc(O)cc2)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)13-3-1-2-12-14(10-4-6-11(23)7-5-10)20-21(8-9-22)15(12)13/h1-7,22-23H,8-9H2
InChIKeyOSSCGRZBJBJCLX-UHFFFAOYSA-N
XLogP3.42
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol?
The IUPAC name of 4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol (CID 135511925) is 4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol.
What is the SMILES notation for 4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol?
The canonical SMILES for 4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol is OCCn1nc(-c2ccc(O)cc2)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol?
The InChIKey is OSSCGRZBJBJCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-16(18,19)13-3-1-2-12-14(10-4-6-11(23)7-5-10)20-21(8-9-22)15(12)13/h1-7,22-23H,8-9H2.
What are the key properties of 4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol?
4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol has a molecular weight of 322.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)indazol-3-yl]phenol is sourced from PubChem (CID 135511925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).