2-(5-methoxybenzotriazol-2-yl)-4-methylphenol

C14H13N3O2 — CID 15538117

IUPAC2-(5-methoxybenzotriazol-2-yl)-4-methylphenol
SMILESCOc1ccc2nn(-c3cc(C)ccc3O)nc2c1
InChIInChI=1S/C14H13N3O2/c1-9-3-6-14(18)13(7-9)17-15-11-5-4-10(19-2)8-12(11)16-17/h3-8,18H,1-2H3
InChIKeyALYRABZJJQPIFI-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.44
Rot. Bonds2

About 2-(5-methoxybenzotriazol-2-yl)-4-methylphenol

2-(5-methoxybenzotriazol-2-yl)-4-methylphenol (PubChem CID 15538117) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(5-methoxybenzotriazol-2-yl)-4-methylphenol.

Molecular Properties

Compound Name2-(5-methoxybenzotriazol-2-yl)-4-methylphenol
PubChem CID15538117
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(5-methoxybenzotriazol-2-yl)-4-methylphenol
SMILESCOc1ccc2nn(-c3cc(C)ccc3O)nc2c1
InChIInChI=1S/C14H13N3O2/c1-9-3-6-14(18)13(7-9)17-15-11-5-4-10(19-2)8-12(11)16-17/h3-8,18H,1-2H3
InChIKeyALYRABZJJQPIFI-UHFFFAOYSA-N
XLogP2.44
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Drometrizole
CID 17113
2-Propenoic acid, 2-methyl-, 2-[3-(2H-benzotriazol-2-yl)-4-hydroxyphenyl]ethyl ester
CID 726893
Benzeneethanol, 3-(2H-benzotriazol-2-yl)-4-hydroxy-
CID 688251
2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate
CID 702159
2-(2-ethoxy-5-methylphenyl)-2H-benzotriazole
CID 717829
2-(2-Methoxy-5-methylphenyl)benzotriazole
CID 576258
Phenol, 2-(2H-benzotriazol-2-yl)-4-dodecyl-
CID 76594
2-(4-Methoxyphenyl)-5-(trifluoromethyl)benzotriazole
CID 127035090
2-(2'-Hydroxy-5'-octylphenyl)-benzotriazole
CID 11500765
2(2-hydroxy-5-vinylphenyl)2H-benzotriazole
CID 14418980
2-(2'-Hydroxy-5'-ethylphenyl)benzotriazole
CID 15399049
2-(4-Methoxyphenyl)benzotriazol-5-ol
CID 135452697

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxybenzotriazol-2-yl)-4-methylphenol?
The IUPAC name of 2-(5-methoxybenzotriazol-2-yl)-4-methylphenol (CID 15538117) is 2-(5-methoxybenzotriazol-2-yl)-4-methylphenol.
What is the SMILES notation for 2-(5-methoxybenzotriazol-2-yl)-4-methylphenol?
The canonical SMILES for 2-(5-methoxybenzotriazol-2-yl)-4-methylphenol is COc1ccc2nn(-c3cc(C)ccc3O)nc2c1.
What is the InChIKey of 2-(5-methoxybenzotriazol-2-yl)-4-methylphenol?
The InChIKey is ALYRABZJJQPIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-3-6-14(18)13(7-9)17-15-11-5-4-10(19-2)8-12(11)16-17/h3-8,18H,1-2H3.
What are the key properties of 2-(5-methoxybenzotriazol-2-yl)-4-methylphenol?
2-(5-methoxybenzotriazol-2-yl)-4-methylphenol has a molecular weight of 255.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxybenzotriazol-2-yl)-4-methylphenol is sourced from PubChem (CID 15538117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).