2-(benzotriazol-2-yl)-5-hexan-3-yloxyphenol

C18H21N3O2 — CID 15219390

IUPAC2-(benzotriazol-2-yl)-5-hexan-3-yloxyphenol
SMILESCCCC(CC)Oc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C18H21N3O2/c1-3-7-13(4-2)23-14-10-11-17(18(22)12-14)21-19-15-8-5-6-9-16(15)20-21/h5-6,8-13,22H,3-4,7H2,1-2H3
InChIKeyUYSLOGPDQOKJFU-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.08
Rot. Bonds6

About 2-(benzotriazol-2-yl)-5-hexan-3-yloxyphenol

2-(benzotriazol-2-yl)-5-hexan-3-yloxyphenol (PubChem CID 15219390) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-5-hexan-3-yloxyphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-5-hexan-3-yloxyphenol
PubChem CID15219390
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-(benzotriazol-2-yl)-5-hexan-3-yloxyphenol
SMILESCCCC(CC)Oc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C18H21N3O2/c1-3-7-13(4-2)23-14-10-11-17(18(22)12-14)21-19-15-8-5-6-9-16(15)20-21/h5-6,8-13,22H,3-4,7H2,1-2H3
InChIKeyUYSLOGPDQOKJFU-UHFFFAOYSA-N
XLogP4.08
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.08
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-hexan-3-yloxyphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-5-hexan-3-yloxyphenol (CID 15219390) is 2-(benzotriazol-2-yl)-5-hexan-3-yloxyphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-5-hexan-3-yloxyphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-5-hexan-3-yloxyphenol is CCCC(CC)Oc1ccc(-n2nc3ccccc3n2)c(O)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-5-hexan-3-yloxyphenol?
The InChIKey is UYSLOGPDQOKJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-7-13(4-2)23-14-10-11-17(18(22)12-14)21-19-15-8-5-6-9-16(15)20-21/h5-6,8-13,22H,3-4,7H2,1-2H3.
What are the key properties of 2-(benzotriazol-2-yl)-5-hexan-3-yloxyphenol?
2-(benzotriazol-2-yl)-5-hexan-3-yloxyphenol has a molecular weight of 311.38 g/mol, XLogP of 4.08, 6 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-hexan-3-yloxyphenol is sourced from PubChem (CID 15219390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).