2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol

C17H17N3O2 — CID 151025123

IUPAC2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol
SMILESCC(C)=COCc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C17H17N3O2/c1-12(2)10-22-11-13-7-8-16(17(21)9-13)20-18-14-5-3-4-6-15(14)19-20/h3-10,21H,11H2,1-2H3
InChIKeyLYWRFDUINWBEFR-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.57
Rot. Bonds4

About 2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol

2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol (PubChem CID 151025123) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol
PubChem CID151025123
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol
SMILESCC(C)=COCc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C17H17N3O2/c1-12(2)10-22-11-13-7-8-16(17(21)9-13)20-18-14-5-3-4-6-15(14)19-20/h3-10,21H,11H2,1-2H3
InChIKeyLYWRFDUINWBEFR-UHFFFAOYSA-N
XLogP3.57
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[4-(benzotriazol-2-yl)-3-hydroxyphenyl]ethyl 2-methylprop-2-enoate
CID 22723737
1-[4-(benzotriazol-2-yl)-3-hydroxyphenyl]heptane-3,4-dione
CID 123886929
[4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate
CID 163422814
CID 18720529
CID 18720529
2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol
CID 23459163
4-[4-(benzotriazol-2-yl)-3-hydroxyphenyl]butan-2-yl 2-methylprop-2-enoate
CID 151732559
2-(benzotriazol-2-yl)-5-[[4,6-bis[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-1,3,5-triazin-2-yl]oxy]phenol
CID 70287304
2-(benzotriazol-2-yl)phenol;ethane
CID 54470609
2-(benzotriazol-2-yl)-5-sulfanylphenol
CID 23459194
2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
CID 20596233
2-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]ethyl 2-methylprop-2-enoate
CID 23454979
4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 175442719

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol (CID 151025123) is 2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol is CC(C)=COCc1ccc(-n2nc3ccccc3n2)c(O)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol?
The InChIKey is LYWRFDUINWBEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12(2)10-22-11-13-7-8-16(17(21)9-13)20-18-14-5-3-4-6-15(14)19-20/h3-10,21H,11H2,1-2H3.
What are the key properties of 2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol?
2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol has a molecular weight of 295.34 g/mol, XLogP of 3.57, 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-methylprop-1-enoxymethyl)phenol is sourced from PubChem (CID 151025123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).