[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate

C19H19N3O5 — CID 142563864

IUPAC[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(COC)COc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C19H19N3O5/c1-3-19(24)27-14(11-25-2)12-26-13-8-9-17(18(23)10-13)22-20-15-6-4-5-7-16(15)21-22/h3-10,14,23H,1,11-12H2,2H3
InChIKeyTZBPPHFZPGAFAF-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.25
Rot. Bonds8

About [1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate

[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate (PubChem CID 142563864) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is [1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate
PubChem CID142563864
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(COC)COc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C19H19N3O5/c1-3-19(24)27-14(11-25-2)12-26-13-8-9-17(18(23)10-13)22-20-15-6-4-5-7-16(15)21-22/h3-10,14,23H,1,11-12H2,2H3
InChIKeyTZBPPHFZPGAFAF-UHFFFAOYSA-N
XLogP2.25
TPSA95.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-ethoxypropan-2-yl] 2-methylprop-2-enoate
CID 142563865
2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol
CID 20823273
1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate
CID 58280736
[1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
CID 145121720
[1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
CID 142355257
[3-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 101084004
2-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]ethyl 2-methylprop-2-enoate
CID 23454979
methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene
CID 157429034
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
[4-[5-(benzotriazol-2-yl)-2,4-dihydroxybenzoyl]-3-hydroxyphenyl] prop-2-enoate
CID 22964453

Frequently Asked Questions

What is the IUPAC name of [1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate?
The IUPAC name of [1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate (CID 142563864) is [1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate.
What is the SMILES notation for [1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate?
The canonical SMILES for [1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate is C=CC(=O)OC(COC)COc1ccc(-n2nc3ccccc3n2)c(O)c1.
What is the InChIKey of [1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate?
The InChIKey is TZBPPHFZPGAFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-3-19(24)27-14(11-25-2)12-26-13-8-9-17(18(23)10-13)22-20-15-6-4-5-7-16(15)21-22/h3-10,14,23H,1,11-12H2,2H3.
What are the key properties of [1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate?
[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate has a molecular weight of 369.38 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate is sourced from PubChem (CID 142563864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).