[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate

C85H89Cl2N9O17 — CID 90863087

IUPAC[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COC(=O)Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1.C=C(C)C(=O)OCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1.C=C(C)C(=O)OCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.C=C(C)C(=O)OCc1ccc(O)c(C(=O)c2ccccc2O)c1
InChIInChI=1S/C25H28ClN3O6.C21H22ClN3O3.C21H23N3O3.C18H16O5/c1-14(2)24(33)35-13-17(30)12-34-22(31)10-15-8-18(25(3,4)5)23(32)21(9-15)29-27-19-7-6-16(26)11-20(19)28-29;1-12(2)20(27)28-11-13-8-15(21(3,4)5)19(26)18(9-13)25-23-16-7-6-14(22)10-17(16)24-25;1-13(2)20(26)27-12-14-10-15(21(3,4)5)19(25)18(11-14)24-22-16-8-6-7-9-17(16)23-24;1-11(2)18(22)23-10-12-7-8-16(20)14(9-12)17(21)13-5-3-4-6-15(13)19/h6-9,11,17,30,32H,1,10,12-13H2,2-5H3;6-10,26H,1,11H2,2-5H3;6-11,25H,1,12H2,2-5H3;3-9,19-20H,1,10H2,2H3
InChIKeyASMHDELTTIIBSP-UHFFFAOYSA-N
MW1579.60 g/mol
LogP15.33
Rot. Bonds21

About [3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate

[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate (PubChem CID 90863087) has the molecular formula C85H89Cl2N9O17 and a molecular weight of 1579.60 g/mol. Its IUPAC name is [3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate
PubChem CID90863087
Molecular FormulaC85H89Cl2N9O17
Molecular Weight1579.60 g/mol
Exact Mass1577.58
IUPAC Name[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COC(=O)Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1.C=C(C)C(=O)OCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1.C=C(C)C(=O)OCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.C=C(C)C(=O)OCc1ccc(O)c(C(=O)c2ccccc2O)c1
InChIInChI=1S/C25H28ClN3O6.C21H22ClN3O3.C21H23N3O3.C18H16O5/c1-14(2)24(33)35-13-17(30)12-34-22(31)10-15-8-18(25(3,4)5)23(32)21(9-15)29-27-19-7-6-16(26)11-20(19)28-29;1-12(2)20(27)28-11-13-8-15(21(3,4)5)19(26)18(9-13)25-23-16-7-6-14(22)10-17(16)24-25;1-13(2)20(26)27-12-14-10-15(21(3,4)5)19(25)18(11-14)24-22-16-8-6-7-9-17(16)23-24;1-11(2)18(22)23-10-12-7-8-16(20)14(9-12)17(21)13-5-3-4-6-15(13)19/h6-9,11,17,30,32H,1,10,12-13H2,2-5H3;6-10,26H,1,11H2,2-5H3;6-11,25H,1,12H2,2-5H3;3-9,19-20H,1,10H2,2H3
InChIKeyASMHDELTTIIBSP-UHFFFAOYSA-N
XLogP15.33
TPSA362.08 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001579.60
LogP ≤ 515.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate (CID 90863087) is [3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COC(=O)Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1.C=C(C)C(=O)OCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1.C=C(C)C(=O)OCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.C=C(C)C(=O)OCc1ccc(O)c(C(=O)c2ccccc2O)c1.
What is the InChIKey of [3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is ASMHDELTTIIBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O6.C21H22ClN3O3.C21H23N3O3.C18H16O5/c1-14(2)24(33)35-13-17(30)12-34-22(31)10-15-8-18(25(3,4)5)23(32)21(9-15)29-27-19-7-6-16(26)11-20(19)28-29;1-12(2)20(27)28-11-13-8-15(21(3,4)5)19(26)18(9-13)25-23-16-7-6-14(22)10-17(16)24-25;1-13(2)20(26)27-12-14-10-15(21(3,4)5)19(25)18(11-14)24-22-16-8-6-7-9-17(16)23-24;1-11(2)18(22)23-10-12-7-8-16(20)14(9-12)17(21)13-5-3-4-6-15(13)19/h6-9,11,17,30,32H,1,10,12-13H2,2-5H3;6-10,26H,1,11H2,2-5H3;6-11,25H,1,12H2,2-5H3;3-9,19-20H,1,10H2,2H3.
What are the key properties of [3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate?
[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 1579.60 g/mol, XLogP of 15.33, 21 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[3-[2-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate;[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl 2-methylprop-2-enoate;[4-hydroxy-3-(2-hydroxybenzoyl)phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 90863087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).