1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol

C23H19F3N2O — CID 15979408

IUPAC1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
SMILESCCc1ccccc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C23H19F3N2O/c1-2-16-8-6-7-11-20(16)22(29,23(24,25)26)18-12-13-21-17(14-18)15-27-28(21)19-9-4-3-5-10-19/h3-15,29H,2H2,1H3
InChIKeyKBIXBMQYCGDDQL-UHFFFAOYSA-N
MW396.41 g/mol
LogP5.39
Rot. Bonds4

About 1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol

1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15979408) has the molecular formula C23H19F3N2O and a molecular weight of 396.41 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15979408
Molecular FormulaC23H19F3N2O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
SMILESCCc1ccccc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C23H19F3N2O/c1-2-16-8-6-7-11-20(16)22(29,23(24,25)26)18-12-13-21-17(14-18)15-27-28(21)19-9-4-3-5-10-19/h3-15,29H,2H2,1H3
InChIKeyKBIXBMQYCGDDQL-UHFFFAOYSA-N
XLogP5.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](4-fluoro-3-methylphenyl)methanol
CID 10454813
2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888391
1-(3-Chloro-4-fluorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-YL)ethanol (enantiomeric mix)
CID 46888441
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-1-(4-fluorophenyl)ethan-1-ol
CID 11281576
1-(2,3-Dichlorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-YL)ethanol (enantiomeric mix)
CID 46888467
(1'S,5R)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,2'-cyclohexane]-1'-ol
CID 155520306
1-(3,4-dichlorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888415
1-(3-chlorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888439
2-[5-[5-(Trifluoromethyl)indazol-1-yl]pyridin-3-yl]propan-2-ol
CID 90252814
(1R)-1-[(4aR,5S)-4a-methyl-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-1-(4-fluorophenyl)ethanol
CID 142819614
4-[1-(4-Fluorophenyl)indazol-5-yl]phenol
CID 46831087
3-[1-(4-Fluorophenyl)indazol-5-yl]phenol
CID 46831397

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol (CID 15979408) is 1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol is CCc1ccccc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is KBIXBMQYCGDDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O/c1-2-16-8-6-7-11-20(16)22(29,23(24,25)26)18-12-13-21-17(14-18)15-27-28(21)19-9-4-3-5-10-19/h3-15,29H,2H2,1H3.
What are the key properties of 1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol?
1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 396.41 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15979408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).