2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol

C15H12ClN3O — CID 175178239

IUPAC2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol
SMILESCc1cccc(-n2cc(-c3ccccc3Cl)nn2)c1O
InChIInChI=1S/C15H12ClN3O/c1-10-5-4-8-14(15(10)20)19-9-13(17-18-19)11-6-2-3-7-12(11)16/h2-9,20H,1H3
InChIKeyBNPXCTRUXJIHBA-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.60
Rot. Bonds2

About 2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol

2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol (PubChem CID 175178239) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol
PubChem CID175178239
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol
SMILESCc1cccc(-n2cc(-c3ccccc3Cl)nn2)c1O
InChIInChI=1S/C15H12ClN3O/c1-10-5-4-8-14(15(10)20)19-9-13(17-18-19)11-6-2-3-7-12(11)16/h2-9,20H,1H3
InChIKeyBNPXCTRUXJIHBA-UHFFFAOYSA-N
XLogP3.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-1-(2-methylphenyl)triazole
CID 20977557
1,4-bis(2-bromophenyl)triazole
CID 102455877
4-(chloromethyl)-1-(2-chloro-3-methylphenyl)triazole
CID 130495737
4-(bromomethyl)-1-(2-methylphenyl)triazole
CID 62401939
1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole
CID 161465182
1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol
CID 117167437
4-(1-naphthalen-1-yltriazol-4-yl)phenol
CID 52947273
5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine
CID 141465288
2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide
CID 167952437
4-[1-(2,3-dimethylphenyl)triazol-4-yl]benzoic acid
CID 82367376
1,2-dichlorobenzene;2-methylphenol
CID 159780398
1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole
CID 134835762

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol?
The IUPAC name of 2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol (CID 175178239) is 2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol.
What is the SMILES notation for 2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol?
The canonical SMILES for 2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol is Cc1cccc(-n2cc(-c3ccccc3Cl)nn2)c1O.
What is the InChIKey of 2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol?
The InChIKey is BNPXCTRUXJIHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-10-5-4-8-14(15(10)20)19-9-13(17-18-19)11-6-2-3-7-12(11)16/h2-9,20H,1H3.
What are the key properties of 2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol?
2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol has a molecular weight of 285.73 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol is sourced from PubChem (CID 175178239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).