2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol

C16H17N3O2 — CID 11231417

IUPAC2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol
SMILESCC(C)COc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C16H17N3O2/c1-11(2)10-21-12-7-8-15(16(20)9-12)19-17-13-5-3-4-6-14(13)18-19/h3-9,11,20H,10H2,1-2H3
InChIKeyRQBIEDTZMMIIGG-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.16
Rot. Bonds4

About 2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol

2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol (PubChem CID 11231417) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol
PubChem CID11231417
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol
SMILESCC(C)COc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C16H17N3O2/c1-11(2)10-21-12-7-8-15(16(20)9-12)19-17-13-5-3-4-6-14(13)18-19/h3-9,11,20H,10H2,1-2H3
InChIKeyRQBIEDTZMMIIGG-UHFFFAOYSA-N
XLogP3.16
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol (CID 11231417) is 2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol is CC(C)COc1ccc(-n2nc3ccccc3n2)c(O)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol?
The InChIKey is RQBIEDTZMMIIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(2)10-21-12-7-8-15(16(20)9-12)19-17-13-5-3-4-6-14(13)18-19/h3-9,11,20H,10H2,1-2H3.
What are the key properties of 2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol?
2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol has a molecular weight of 283.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-5-(2-methylpropoxy)phenol is sourced from PubChem (CID 11231417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).