4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol

C15H12ClN3O2 — CID 82194910

IUPAC4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol
SMILESOCc1nnn(-c2ccc(O)cc2)c1-c1ccccc1Cl
InChIInChI=1S/C15H12ClN3O2/c16-13-4-2-1-3-12(13)15-14(9-20)17-18-19(15)10-5-7-11(21)8-6-10/h1-8,20-21H,9H2
InChIKeyISURNQOPUQMMLJ-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.79
Rot. Bonds3

About 4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol

4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol (PubChem CID 82194910) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol
PubChem CID82194910
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol
SMILESOCc1nnn(-c2ccc(O)cc2)c1-c1ccccc1Cl
InChIInChI=1S/C15H12ClN3O2/c16-13-4-2-1-3-12(13)15-14(9-20)17-18-19(15)10-5-7-11(21)8-6-10/h1-8,20-21H,9H2
InChIKeyISURNQOPUQMMLJ-UHFFFAOYSA-N
XLogP2.79
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol
CID 82197077
4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol
CID 82194898
[5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol
CID 82205745
[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198074
[1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol
CID 82200760
[1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82200781
[1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 94940134
5-(2-chlorophenyl)-1-(4-methylphenyl)triazole-4-carbonitrile
CID 82199162
[1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol
CID 56686681
[1-(2,3-dimethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanol
CID 82195695
4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole
CID 135003778
[1-(3-chloro-4-methylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 94938737

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol?
The IUPAC name of 4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol (CID 82194910) is 4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol?
The canonical SMILES for 4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol is OCc1nnn(-c2ccc(O)cc2)c1-c1ccccc1Cl.
What is the InChIKey of 4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol?
The InChIKey is ISURNQOPUQMMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-13-4-2-1-3-12(13)15-14(9-20)17-18-19(15)10-5-7-11(21)8-6-10/h1-8,20-21H,9H2.
What are the key properties of 4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol?
4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol has a molecular weight of 301.73 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol is sourced from PubChem (CID 82194910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).