(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol

C15H12ClN3O — CID 114684777

IUPAC(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1ccccc1Cl)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H12ClN3O/c16-13-9-5-4-8-12(13)15(20)14-10-17-18-19(14)11-6-2-1-3-7-11/h1-10,15,20H
InChIKeyAAUJEKKCJDJGDY-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.00
Rot. Bonds3

About (2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol

(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol (PubChem CID 114684777) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is (2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
PubChem CID114684777
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1ccccc1Cl)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H12ClN3O/c16-13-9-5-4-8-12(13)15(20)14-10-17-18-19(14)11-6-2-1-3-7-11/h1-10,15,20H
InChIKeyAAUJEKKCJDJGDY-UHFFFAOYSA-N
XLogP3.00
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-iodophenyl)-(3-phenyltriazol-4-yl)methanol
CID 103217123
(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105128605
(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684808
(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114685520
(5-bromo-2-methylphenyl)-(3-phenyltriazol-4-yl)methanol
CID 115835877
(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684827
(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 103443749
(3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol
CID 114685473
(2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66135580
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684694
1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol
CID 114686391
2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 114686563

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol?
The IUPAC name of (2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol (CID 114684777) is (2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol?
The canonical SMILES for (2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol is OC(c1ccccc1Cl)c1cnnn1-c1ccccc1.
What is the InChIKey of (2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol?
The InChIKey is AAUJEKKCJDJGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-13-9-5-4-8-12(13)15(20)14-10-17-18-19(14)11-6-2-1-3-7-11/h1-10,15,20H.
What are the key properties of (2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol?
(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol has a molecular weight of 285.73 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 114684777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).