2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol

C19H20FN3O2 — CID 97444944

IUPAC2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol
SMILESCc1ccc(F)cc1Cc1nc([C@H](O)c2ccccc2)nn1CCO
InChIInChI=1S/C19H20FN3O2/c1-13-7-8-16(20)11-15(13)12-17-21-19(22-23(17)9-10-24)18(25)14-5-3-2-4-6-14/h2-8,11,18,24-25H,9-10,12H2,1H3/t18-/m1/s1
InChIKeyGFBMMKWVOWZREF-GOSISDBHSA-N
MW341.39 g/mol
LogP2.39
Rot. Bonds6

About 2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol

2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 97444944) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID97444944
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol
SMILESCc1ccc(F)cc1Cc1nc([C@H](O)c2ccccc2)nn1CCO
InChIInChI=1S/C19H20FN3O2/c1-13-7-8-16(20)11-15(13)12-17-21-19(22-23(17)9-10-24)18(25)14-5-3-2-4-6-14/h2-8,11,18,24-25H,9-10,12H2,1H3/t18-/m1/s1
InChIKeyGFBMMKWVOWZREF-GOSISDBHSA-N
XLogP2.39
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol with MolForge

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Related Compounds

[1-[(1-Methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-diphenylmethanol
CID 122194236
Diphenyl-(2-prop-2-ynyl-1,2,4-triazol-3-yl)methanol
CID 3367395
Diphenyl-(2-prop-2-enyl-1,2,4-triazol-3-yl)methanol
CID 3746616
(2,5-dibutyl-1,2,4-triazol-3-yl)-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol
CID 44268165
(2-Butyl-1,2,4-triazol-3-yl)-diphenylmethanol
CID 3693891
2-[4-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)ethanol
CID 56780869
{5-[(2-fluorobenzyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl}(phenyl)methanol
CID 3328801
1-(4-fluorophenyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanol
CID 53600419
(1S)-2-phenyl-1-[1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethanol
CID 72929312
2-[3-(4-Cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(2-fluorophenyl)ethanol
CID 75442495
(R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol
CID 97433929
(R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol
CID 99778568

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol (CID 97444944) is 2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol is Cc1ccc(F)cc1Cc1nc([C@H](O)c2ccccc2)nn1CCO.
What is the InChIKey of 2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is GFBMMKWVOWZREF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-7-8-16(20)11-15(13)12-17-21-19(22-23(17)9-10-24)18(25)14-5-3-2-4-6-14/h2-8,11,18,24-25H,9-10,12H2,1H3/t18-/m1/s1.
What are the key properties of 2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol?
2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 341.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 97444944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).