2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol

C23H21N3O4 — CID 20823273

IUPAC2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol
SMILESC=Cc1ccc(OCC(O)COc2ccc(-n3nc4ccccc4n3)c(O)c2)cc1
InChIInChI=1S/C23H21N3O4/c1-2-16-7-9-18(10-8-16)29-14-17(27)15-30-19-11-12-22(23(28)13-19)26-24-20-5-3-4-6-21(20)25-26/h2-13,17,27-28H,1,14-15H2
InChIKeyJFAVCRSGWIFWDY-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.59
Rot. Bonds8

About 2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol

2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol (PubChem CID 20823273) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol
PubChem CID20823273
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol
SMILESC=Cc1ccc(OCC(O)COc2ccc(-n3nc4ccccc4n3)c(O)c2)cc1
InChIInChI=1S/C23H21N3O4/c1-2-16-7-9-18(10-8-16)29-14-17(27)15-30-19-11-12-22(23(28)13-19)26-24-20-5-3-4-6-21(20)25-26/h2-13,17,27-28H,1,14-15H2
InChIKeyJFAVCRSGWIFWDY-UHFFFAOYSA-N
XLogP3.59
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 101084004
[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate
CID 142563864
2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol
CID 23459163
2-(benzotriazol-2-yl)-5-(2-propyloctoxy)phenol
CID 22131584
[4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate
CID 163422814
[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-ethoxypropan-2-yl] 2-methylprop-2-enoate
CID 142563865
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)-5-buta-1,3-diynoxyphenol
CID 163624340
4-[2-(4-benzoyloxy-2-hydroxyphenyl)benzotriazol-5-yl]oxy-2-methylidenebutanoic acid
CID 175230246
[4-[5-(benzotriazol-2-yl)-2,4-dihydroxybenzoyl]-3-hydroxyphenyl] prop-2-enoate
CID 22964453
1-ethenylperoxy-3-phenoxypropan-2-ol
CID 135270100
2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol
CID 59815222

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol (CID 20823273) is 2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol is C=Cc1ccc(OCC(O)COc2ccc(-n3nc4ccccc4n3)c(O)c2)cc1.
What is the InChIKey of 2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol?
The InChIKey is JFAVCRSGWIFWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-2-16-7-9-18(10-8-16)29-14-17(27)15-30-19-11-12-22(23(28)13-19)26-24-20-5-3-4-6-21(20)25-26/h2-13,17,27-28H,1,14-15H2.
What are the key properties of 2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol?
2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol has a molecular weight of 403.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol is sourced from PubChem (CID 20823273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).