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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Related Compounds

1,5-Bis(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 10569712
4-[4-(6-Cyclobutyloxyindazol-1-yl)-2,6-difluorophenoxy]butanoic acid
CID 121447548
2,6-Difluoro-3-(3-methoxy-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163234116
Vbchem314_0m_a
CID 11151408
2-phenyl-3-(propan-2-yl)-6,7-dihydro-2H-[1,4]dioxino[2,3-f]indazole
CID 25249358
3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine
CID 15158085
2-[4-[2-(4-Methoxyphenyl)-5-(2,2,2-trifluoroethoxy)pyrazol-3-yl]phenoxy]ethanol
CID 21090715
2-{4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy}ethanol
CID 21090736
2-[4-[5-(2,2-Difluoroethoxy)-2-(4-methoxyphenyl)pyrazol-3-yl]phenoxy]ethanol
CID 21090759
2-[4-[5-(4-Methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethanol
CID 21090844
4-[5-(4-Methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
CID 21090959
2-[4-[5-(4-Methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]acetonitrile
CID 21090960

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).