2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate

C18H17N3O3 — CID 142675624

IUPAC2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1c(O)cc2n[nH]nc2c1-c1ccccc1
InChIInChI=1S/C18H17N3O3/c1-11(2)18(23)24-9-8-13-15(22)10-14-17(20-21-19-14)16(13)12-6-4-3-5-7-12/h3-7,10,22H,1,8-9H2,2H3,(H,19,20,21)
InChIKeyRMFXONAGVSFBSE-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.99
Rot. Bonds5

About 2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate

2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate (PubChem CID 142675624) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate
PubChem CID142675624
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1c(O)cc2n[nH]nc2c1-c1ccccc1
InChIInChI=1S/C18H17N3O3/c1-11(2)18(23)24-9-8-13-15(22)10-14-17(20-21-19-14)16(13)12-6-4-3-5-7-12/h3-7,10,22H,1,8-9H2,2H3,(H,19,20,21)
InChIKeyRMFXONAGVSFBSE-UHFFFAOYSA-N
XLogP2.99
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2H-benzotriazole;2-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]ethyl 2-methylprop-2-enoate
CID 160643986
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
(10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate
CID 71414129
6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol
CID 141485761
2-(3-benzoyl-2,6-dihydroxyphenyl)ethyl 2-methylprop-2-enoate
CID 169082390
2-[4-(benzotriazol-2-yl)-3-hydroxyphenyl]ethyl 2-methylprop-2-enoate
CID 22723737
4-phenyl-2H-benzotriazol-5-ol
CID 135976854
2-diphenylsilyloxyethyl 2-methylprop-2-enoate
CID 174754381
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate
CID 59705426
2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate
CID 139527339
2-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]ethyl 2-methylprop-2-enoate
CID 23454979

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate (CID 142675624) is 2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCc1c(O)cc2n[nH]nc2c1-c1ccccc1.
What is the InChIKey of 2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is RMFXONAGVSFBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11(2)18(23)24-9-8-13-15(22)10-14-17(20-21-19-14)16(13)12-6-4-3-5-7-12/h3-7,10,22H,1,8-9H2,2H3,(H,19,20,21).
What are the key properties of 2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate?
2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 323.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 142675624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).