2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol

C14H13N3O2 — CID 135672596

IUPAC2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol
SMILESCc1cc(C)c2nn(-c3cc(O)ccc3O)nc2c1
InChIInChI=1S/C14H13N3O2/c1-8-5-9(2)14-11(6-8)15-17(16-14)12-7-10(18)3-4-13(12)19/h3-7,18-19H,1-2H3
InChIKeyRRSSPZCAIIMMPS-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.45
Rot. Bonds1

About 2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol

2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol (PubChem CID 135672596) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol
PubChem CID135672596
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol
SMILESCc1cc(C)c2nn(-c3cc(O)ccc3O)nc2c1
InChIInChI=1S/C14H13N3O2/c1-8-5-9(2)14-11(6-8)15-17(16-14)12-7-10(18)3-4-13(12)19/h3-7,18-19H,1-2H3
InChIKeyRRSSPZCAIIMMPS-UHFFFAOYSA-N
XLogP2.45
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol?
The IUPAC name of 2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol (CID 135672596) is 2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol is Cc1cc(C)c2nn(-c3cc(O)ccc3O)nc2c1.
What is the InChIKey of 2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol?
The InChIKey is RRSSPZCAIIMMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-5-9(2)14-11(6-8)15-17(16-14)12-7-10(18)3-4-13(12)19/h3-7,18-19H,1-2H3.
What are the key properties of 2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol?
2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol has a molecular weight of 255.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol is sourced from PubChem (CID 135672596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).