1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol

C16H14FN3O — CID 111476984

IUPAC1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cnc(-c2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c17-14-8-6-12(7-9-14)15(21)10-20-11-18-16(19-20)13-4-2-1-3-5-13/h1-9,11,15,21H,10H2
InChIKeyCRMRKWAMTWEOTM-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.82
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol

1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol (PubChem CID 111476984) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol
PubChem CID111476984
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cnc(-c2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c17-14-8-6-12(7-9-14)15(21)10-20-11-18-16(19-20)13-4-2-1-3-5-13/h1-9,11,15,21H,10H2
InChIKeyCRMRKWAMTWEOTM-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

alpha-(2,4-Difluorophenyl)-1H-1,2,4-triazole-1-ethanol
CID 6426669
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-Butyl-1,2,4-triazol-3-yl)-diphenylmethanol
CID 3693891
1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-ol
CID 9990589
(1S)-1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 139083071
(1-benzyl-1H-tetrazol-5-yl)(phenyl)methanol
CID 11998598
(1S)-2-phenyl-1-[1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethanol
CID 72929312
(R)-[1-cyclohexyl-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]-phenylmethanol
CID 97433929
2-[5-[(5-fluoro-2-methylphenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-1,2,4-triazol-1-yl]ethanol
CID 97444944
(R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol
CID 99778568
1-(4-Fluorophenyl)-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanol
CID 13518453

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol (CID 111476984) is 1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol is OC(Cn1cnc(-c2ccccc2)n1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol?
The InChIKey is CRMRKWAMTWEOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-14-8-6-12(7-9-14)15(21)10-20-11-18-16(19-20)13-4-2-1-3-5-13/h1-9,11,15,21H,10H2.
What are the key properties of 1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol?
1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol has a molecular weight of 283.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 111476984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).