2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol

C30H25F3N2O2 — CID 67021544

IUPAC2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(Oc2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccccc3)cc2)c1
InChIInChI=1S/C30H25F3N2O2/c1-29(2,36)22-10-6-11-24(18-22)37-23-16-14-21(15-17-23)28-25-12-7-13-26(30(31,32)33)27(25)34-35(28)19-20-8-4-3-5-9-20/h3-18,36H,19H2,1-2H3
InChIKeyIRNKPARRRWCNNU-UHFFFAOYSA-N
MW502.54 g/mol
LogP7.79
Rot. Bonds6

About 2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol

2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol (PubChem CID 67021544) has the molecular formula C30H25F3N2O2 and a molecular weight of 502.54 g/mol. Its IUPAC name is 2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol
PubChem CID67021544
Molecular FormulaC30H25F3N2O2
Molecular Weight502.54 g/mol
Exact Mass502.19
IUPAC Name2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(Oc2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccccc3)cc2)c1
InChIInChI=1S/C30H25F3N2O2/c1-29(2,36)22-10-6-11-24(18-22)37-23-16-14-21(15-17-23)28-25-12-7-13-26(30(31,32)33)27(25)34-35(28)19-20-8-4-3-5-9-20/h3-18,36H,19H2,1-2H3
InChIKeyIRNKPARRRWCNNU-UHFFFAOYSA-N
XLogP7.79
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.54
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 135428120
4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 135433989
4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl]-3-methylphenol
CID 135507439
4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]-3-methylphenol
CID 135524884
1-allyl-3-(2,4-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indazole
CID 11660520
3-(3,4-Dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole
CID 123221518
2-[[2-(Difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole
CID 11495406
2-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)-2H-indazole
CID 11500562
2-Benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole
CID 11503180
2-Benzyl-3-(3-phenylmethoxyphenyl)-7-(trifluoromethyl)indazole
CID 11503498
2-Benzyl-3-[4-(4-methoxyphenyl)phenyl]-7-(trifluoromethyl)indazole
CID 11503499
3-{4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]phenoxy}benzoic acid
CID 11511476

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol?
The IUPAC name of 2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol (CID 67021544) is 2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol?
The canonical SMILES for 2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol is CC(C)(O)c1cccc(Oc2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccccc3)cc2)c1.
What is the InChIKey of 2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol?
The InChIKey is IRNKPARRRWCNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N2O2/c1-29(2,36)22-10-6-11-24(18-22)37-23-16-14-21(15-17-23)28-25-12-7-13-26(30(31,32)33)27(25)34-35(28)19-20-8-4-3-5-9-20/h3-18,36H,19H2,1-2H3.
What are the key properties of 2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol?
2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol has a molecular weight of 502.54 g/mol, XLogP of 7.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]propan-2-ol is sourced from PubChem (CID 67021544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).