2-(benzotriazol-2-yl)-5-octoxyphenol

C20H25N3O2 — CID 15752107

IUPAC2-(benzotriazol-2-yl)-5-octoxyphenol
SMILESCCCCCCCCOc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C20H25N3O2/c1-2-3-4-5-6-9-14-25-16-12-13-19(20(24)15-16)23-21-17-10-7-8-11-18(17)22-23/h7-8,10-13,15,24H,2-6,9,14H2,1H3
InChIKeyITLDHFORLZTRJI-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.87
Rot. Bonds9

About 2-(benzotriazol-2-yl)-5-octoxyphenol

2-(benzotriazol-2-yl)-5-octoxyphenol (PubChem CID 15752107) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-5-octoxyphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-5-octoxyphenol
PubChem CID15752107
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(benzotriazol-2-yl)-5-octoxyphenol
SMILESCCCCCCCCOc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C20H25N3O2/c1-2-3-4-5-6-9-14-25-16-12-13-19(20(24)15-16)23-21-17-10-7-8-11-18(17)22-23/h7-8,10-13,15,24H,2-6,9,14H2,1H3
InChIKeyITLDHFORLZTRJI-UHFFFAOYSA-N
XLogP4.87
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dihydroxyphenyl)-2H-benzotriazole
CID 11064167
2-(Benzotriazol-2-yl)benzene-1,3-diol
CID 12691728
2-(2-Hydroxy-4-methacryloyloxyphenyl)-2h-benzotriazole
CID 15672475
2(2-Hydroxy-4-acryloxyphenyl)2h-benzotriazole
CID 21678457
2(2,4,6-Trihydroxyphenyl)2h-benzo-triazole
CID 18428797
4-[4-(2h-Benzotriazol-2-yl)-3-hydroxyphenoxy]butanoic acid
CID 129673218
4-(2H-benzotriazol-5-yldiazenyl)-3,5-dimethoxyphenol
CID 136027235
4-(5-Fluorobenzotriazol-2-yl)benzene-1,3-diol
CID 19349154
5-Octoxy-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
CID 21831679
5-Trifluoromethyl-2-[2-hydroxy-4-(3-butoxy-2-hydroxypropoxy)phenyl]-2H-benzotriazole
CID 21831681
2-(Benzotriazol-2-yl)-5-ethoxyphenol
CID 54306055
2-Tert-butyl-3-(2-hydroxyethoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
CID 87970969

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-5-octoxyphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-5-octoxyphenol (CID 15752107) is 2-(benzotriazol-2-yl)-5-octoxyphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-5-octoxyphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-5-octoxyphenol is CCCCCCCCOc1ccc(-n2nc3ccccc3n2)c(O)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-5-octoxyphenol?
The InChIKey is ITLDHFORLZTRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-3-4-5-6-9-14-25-16-12-13-19(20(24)15-16)23-21-17-10-7-8-11-18(17)22-23/h7-8,10-13,15,24H,2-6,9,14H2,1H3.
What are the key properties of 2-(benzotriazol-2-yl)-5-octoxyphenol?
2-(benzotriazol-2-yl)-5-octoxyphenol has a molecular weight of 339.44 g/mol, XLogP of 4.87, 9 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-octoxyphenol is sourced from PubChem (CID 15752107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).