(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol

C15H11ClFN3O — CID 114685520

IUPAC(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1cc(F)cc(Cl)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H11ClFN3O/c16-11-6-10(7-12(17)8-11)15(21)14-9-18-19-20(14)13-4-2-1-3-5-13/h1-9,15,21H
InChIKeyQLAOOSWBZASIGR-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.14
Rot. Bonds3

About (3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol

(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol (PubChem CID 114685520) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
PubChem CID114685520
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1cc(F)cc(Cl)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H11ClFN3O/c16-11-6-10(7-12(17)8-11)15(21)14-9-18-19-20(14)13-4-2-1-3-5-13/h1-9,15,21H
InChIKeyQLAOOSWBZASIGR-UHFFFAOYSA-N
XLogP3.14
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684808
(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684827
(3-chloro-4-iodophenyl)-(3-phenyltriazol-4-yl)methanol
CID 103217123
(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105128605
(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684777
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684694
2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686314
(S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol
CID 97293464
(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol
CID 7153369
(R)-(3-chloro-5-fluorophenyl)-(3-fluorophenyl)methanol
CID 7146499
1-[3-(3-chlorophenyl)triazol-4-yl]ethanol
CID 117167214
3-(3-chloro-5-fluorophenyl)triazole-4-carboxylic acid
CID 107370229

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol?
The IUPAC name of (3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol (CID 114685520) is (3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol?
The canonical SMILES for (3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol is OC(c1cc(F)cc(Cl)c1)c1cnnn1-c1ccccc1.
What is the InChIKey of (3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol?
The InChIKey is QLAOOSWBZASIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-11-6-10(7-12(17)8-11)15(21)14-9-18-19-20(14)13-4-2-1-3-5-13/h1-9,15,21H.
What are the key properties of (3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol?
(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol has a molecular weight of 303.72 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 114685520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).