[2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate

C19H19N3O5 — CID 59317404

IUPAC[2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(OC)cc(-n2nc3ccc(OC)cc3n2)c1O
InChIInChI=1S/C19H19N3O5/c1-11(2)19(24)27-10-12-7-14(26-4)9-17(18(12)23)22-20-15-6-5-13(25-3)8-16(15)21-22/h5-9,23H,1,10H2,2-4H3
InChIKeyCXNDOZZRTDUFAP-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.76
Rot. Bonds6

About [2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate

[2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate (PubChem CID 59317404) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is [2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate
PubChem CID59317404
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name[2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(OC)cc(-n2nc3ccc(OC)cc3n2)c1O
InChIInChI=1S/C19H19N3O5/c1-11(2)19(24)27-10-12-7-14(26-4)9-17(18(12)23)22-20-15-6-5-13(25-3)8-16(15)21-22/h5-9,23H,1,10H2,2-4H3
InChIKeyCXNDOZZRTDUFAP-UHFFFAOYSA-N
XLogP2.76
TPSA95.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.76
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

[5-deuterio-3-(5-ethenylbenzotriazol-2-yl)-2-hydroxyphenyl]methyl 2-methylprop-2-enoate
CID 58461704
2-[3-(benzotriazol-2-yl)-5-[[3-(benzotriazol-2-yl)-2-hydroxy-5-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]methyl]-4-hydroxyphenyl]ethyl 2-methylprop-2-enoate
CID 18474465
3-[3-(5-chlorobenzotriazol-2-yl)-5-[[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]methyl]-4-hydroxyphenyl]propyl 2-methylprop-2-enoate
CID 18474460
3-[3-(5-chlorobenzotriazol-2-yl)-5-ethyl-4-hydroxyphenyl]propyl 2-methylprop-2-enoate
CID 59915533
2-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]ethyl 2-methylprop-2-enoate
CID 23454979
2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]ethyl 2-methylprop-2-enoate
CID 22723757
4-[3-(benzotriazol-2-yl)-4-hydroxyphenoxy]butyl 2-methylprop-2-enoate
CID 171768656
[5-deuterio-2-hydroxy-3-[5-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)benzotriazol-2-yl]phenyl]methyl 2-methylprop-2-enoate
CID 58461706
2-[3-tert-butyl-4-hydroxy-5-(5-methoxybenzotriazol-2-yl)phenyl]ethyl prop-2-enoate
CID 139631334
[3-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 101084004
[4-[2-(3-butyl-2-hydroxy-5-methylphenyl)benzotriazol-5-yl]sulfanylphenyl] 2-methylprop-2-enoate
CID 155132468
2-[2-(5-chlorobenzotriazol-2-yl)phenyl]ethyl 2-methylprop-2-enoate
CID 174466915

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate (CID 59317404) is [2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cc(OC)cc(-n2nc3ccc(OC)cc3n2)c1O.
What is the InChIKey of [2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is CXNDOZZRTDUFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-11(2)19(24)27-10-12-7-14(26-4)9-17(18(12)23)22-20-15-6-5-13(25-3)8-16(15)21-22/h5-9,23H,1,10H2,2-4H3.
What are the key properties of [2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate?
[2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 369.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-5-methoxy-3-(5-methoxybenzotriazol-2-yl)phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 59317404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).