4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol

C18H15F3N2O2 — CID 67777563

IUPAC4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol
SMILESOc1ccc(-n2nc3cc(OCC4CC4)ccc3c2C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O2/c19-18(20,21)17-15-8-7-14(25-10-11-1-2-11)9-16(15)22-23(17)12-3-5-13(24)6-4-12/h3-9,11,24H,1-2,10H2
InChIKeyRTFAACDCSQXYKH-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.54
Rot. Bonds4

About 4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol

4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol (PubChem CID 67777563) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol.

Molecular Properties

Compound Name4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol
PubChem CID67777563
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol
SMILESOc1ccc(-n2nc3cc(OCC4CC4)ccc3c2C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O2/c19-18(20,21)17-15-8-7-14(25-10-11-1-2-11)9-16(15)22-23(17)12-3-5-13(24)6-4-12/h3-9,11,24H,1-2,10H2
InChIKeyRTFAACDCSQXYKH-UHFFFAOYSA-N
XLogP4.54
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol?
The IUPAC name of 4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol (CID 67777563) is 4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol.
What is the SMILES notation for 4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol?
The canonical SMILES for 4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol is Oc1ccc(-n2nc3cc(OCC4CC4)ccc3c2C(F)(F)F)cc1.
What is the InChIKey of 4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol?
The InChIKey is RTFAACDCSQXYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-18(20,21)17-15-8-7-14(25-10-11-1-2-11)9-16(15)22-23(17)12-3-5-13(24)6-4-12/h3-9,11,24H,1-2,10H2.
What are the key properties of 4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol?
4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol has a molecular weight of 348.32 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopropylmethoxy)-3-(trifluoromethyl)indazol-2-yl]phenol is sourced from PubChem (CID 67777563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).