4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol

C14H10ClN3O — CID 135449099

IUPAC4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
SMILESOc1ccc(Cl)cc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H10ClN3O/c15-10-6-7-12(19)11(8-10)14-16-13(17-18-14)9-4-2-1-3-5-9/h1-8,19H,(H,16,17,18)
InChIKeyWXTSXKSBMZTVIQ-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.50
Rot. Bonds2

About 4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol

4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol (PubChem CID 135449099) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
PubChem CID135449099
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
SMILESOc1ccc(Cl)cc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H10ClN3O/c15-10-6-7-12(19)11(8-10)14-16-13(17-18-14)9-4-2-1-3-5-9/h1-8,19H,(H,16,17,18)
InChIKeyWXTSXKSBMZTVIQ-UHFFFAOYSA-N
XLogP3.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one
CID 389407
2-(5-Phenyl-1H-[1,2,4]triazol-3-yl)-phenol
CID 677535
4-chloro-2-(1H-[1,2,4]triazol-3-yl)-phenol
CID 136163388
4-{[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]diazenyl}phenol
CID 2850610
4-{3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-5-yl}phenol
CID 2952342
4-chloro-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 137229837
4-chloro-2-[5-(2-chloro-4-nitrophenyl)-1H-1,2,4-triazol-3-yl]phenol
CID 155525297
4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 155527131
4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol
CID 155554294
2-{3-[(E)-2-(2-chlorophenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol
CID 5293994
2-(5-amino-4H-1,2,4-triazol-3-yl)phenol
CID 135649820
4-chloro-2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135400975

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol?
The IUPAC name of 4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol (CID 135449099) is 4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol.
What is the SMILES notation for 4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol?
The canonical SMILES for 4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol is Oc1ccc(Cl)cc1-c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol?
The InChIKey is WXTSXKSBMZTVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-10-6-7-12(19)11(8-10)14-16-13(17-18-14)9-4-2-1-3-5-9/h1-8,19H,(H,16,17,18).
What are the key properties of 4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol?
4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol has a molecular weight of 271.71 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol is sourced from PubChem (CID 135449099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).