(2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate

C126H132O48 — CID 162227885

IUPAC(2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate
SMILESC=C(C)C(=O)Oc1ccc(O)c(C(=O)CC)c1.C=C(C)C(=O)Oc1ccc(O)c(C(=O)OC)c1.C=C(C)C(=O)Oc1ccc(O)c(C(=O)OCC)c1.C=C(C)C(=O)Oc1ccc(O)c(OC(=O)CC)c1.C=C(C)C(=O)Oc1ccc(O)c(OC(C)=O)c1.C=C(C)C(=O)Oc1ccc(O)cc1C(=O)CC.C=C(C)C(=O)Oc1ccc(O)cc1C(=O)OC.C=C(C)C(=O)Oc1ccc(O)cc1C(=O)OCC.C=C(C)C(=O)Oc1ccc(O)cc1OC(=O)CC.C=C(C)C(=O)Oc1ccc(O)cc1OC(C)=O
InChIInChI=1S/4C13H14O5.2C13H14O4.4C12H12O5/c1-4-17-13(16)10-7-9(5-6-11(10)14)18-12(15)8(2)3;1-4-17-13(16)10-7-9(14)5-6-11(10)18-12(15)8(2)3;1-4-12(15)18-11-7-9(5-6-10(11)14)17-13(16)8(2)3;1-4-12(15)17-11-7-9(14)5-6-10(11)18-13(16)8(2)3;1-4-11(14)10-7-9(5-6-12(10)15)17-13(16)8(2)3;1-4-11(15)10-7-9(14)5-6-12(10)17-13(16)8(2)3;1-7(2)11(14)17-8-4-5-10(13)9(6-8)12(15)16-3;1-7(2)11(14)17-10-5-4-8(13)6-9(10)12(15)16-3;1-7(2)12(15)17-9-4-5-10(14)11(6-9)16-8(3)13;1-7(2)12(15)17-10-5-4-9(14)6-11(10)16-8(3)13/h4*5-7,14H,2,4H2,1,3H3;5-7,15H,2,4H2,1,3H3;5-7,14H,2,4H2,1,3H3;2*4-6,13H,1H2,2-3H3;2*4-6,14H,1H2,2-3H3
InChIKeyZUZRAAMDNZAVMN-UHFFFAOYSA-N
MW2414.39 g/mol
LogP20.33
Rot. Bonds36

About (2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate

(2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate (PubChem CID 162227885) has the molecular formula C126H132O48 and a molecular weight of 2414.39 g/mol. Its IUPAC name is (2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate.

Molecular Properties

Compound Name(2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate
PubChem CID162227885
Molecular FormulaC126H132O48
Molecular Weight2414.39 g/mol
Exact Mass2412.79
IUPAC Name(2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate
SMILESC=C(C)C(=O)Oc1ccc(O)c(C(=O)CC)c1.C=C(C)C(=O)Oc1ccc(O)c(C(=O)OC)c1.C=C(C)C(=O)Oc1ccc(O)c(C(=O)OCC)c1.C=C(C)C(=O)Oc1ccc(O)c(OC(=O)CC)c1.C=C(C)C(=O)Oc1ccc(O)c(OC(C)=O)c1.C=C(C)C(=O)Oc1ccc(O)cc1C(=O)CC.C=C(C)C(=O)Oc1ccc(O)cc1C(=O)OC.C=C(C)C(=O)Oc1ccc(O)cc1C(=O)OCC.C=C(C)C(=O)Oc1ccc(O)cc1OC(=O)CC.C=C(C)C(=O)Oc1ccc(O)cc1OC(C)=O
InChIInChI=1S/4C13H14O5.2C13H14O4.4C12H12O5/c1-4-17-13(16)10-7-9(5-6-11(10)14)18-12(15)8(2)3;1-4-17-13(16)10-7-9(14)5-6-11(10)18-12(15)8(2)3;1-4-12(15)18-11-7-9(5-6-10(11)14)17-13(16)8(2)3;1-4-12(15)17-11-7-9(14)5-6-10(11)18-13(16)8(2)3;1-4-11(14)10-7-9(5-6-12(10)15)17-13(16)8(2)3;1-4-11(15)10-7-9(14)5-6-12(10)17-13(16)8(2)3;1-7(2)11(14)17-8-4-5-10(13)9(6-8)12(15)16-3;1-7(2)11(14)17-10-5-4-8(13)6-9(10)12(15)16-3;1-7(2)12(15)17-9-4-5-10(14)11(6-9)16-8(3)13;1-7(2)12(15)17-10-5-4-9(14)6-11(10)16-8(3)13/h4*5-7,14H,2,4H2,1,3H3;5-7,15H,2,4H2,1,3H3;5-7,14H,2,4H2,1,3H3;2*4-6,13H,1H2,2-3H3;2*4-6,14H,1H2,2-3H3
InChIKeyZUZRAAMDNZAVMN-UHFFFAOYSA-N
XLogP20.33
TPSA709.84 Ų
H-Bond Donors10
H-Bond Acceptors48
Rotatable Bonds36
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002414.39
LogP ≤ 520.33
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze (2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate with MolForge

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Related Compounds

[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate
CID 169258545
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
[4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 139527455
[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 169258569
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
1-(5-hydroxy-2-methoxyphenyl)propan-1-one
CID 15574178
methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate
CID 54212721
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
ethyl 5-benzoyloxy-2-hydroxybenzoate
CID 18544052
ethyl 2-acetyloxy-4-aminobenzoate
CID 90384758
bis[4-hydroxy-3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]phenyl] cyclohexane-1,4-dicarboxylate
CID 129258150

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate?
The IUPAC name of (2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate (CID 162227885) is (2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate.
What is the SMILES notation for (2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate?
The canonical SMILES for (2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate is C=C(C)C(=O)Oc1ccc(O)c(C(=O)CC)c1.C=C(C)C(=O)Oc1ccc(O)c(C(=O)OC)c1.C=C(C)C(=O)Oc1ccc(O)c(C(=O)OCC)c1.C=C(C)C(=O)Oc1ccc(O)c(OC(=O)CC)c1.C=C(C)C(=O)Oc1ccc(O)c(OC(C)=O)c1.C=C(C)C(=O)Oc1ccc(O)cc1C(=O)CC.C=C(C)C(=O)Oc1ccc(O)cc1C(=O)OC.C=C(C)C(=O)Oc1ccc(O)cc1C(=O)OCC.C=C(C)C(=O)Oc1ccc(O)cc1OC(=O)CC.C=C(C)C(=O)Oc1ccc(O)cc1OC(C)=O.
What is the InChIKey of (2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate?
The InChIKey is ZUZRAAMDNZAVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H14O5.2C13H14O4.4C12H12O5/c1-4-17-13(16)10-7-9(5-6-11(10)14)18-12(15)8(2)3;1-4-17-13(16)10-7-9(14)5-6-11(10)18-12(15)8(2)3;1-4-12(15)18-11-7-9(5-6-10(11)14)17-13(16)8(2)3;1-4-12(15)17-11-7-9(14)5-6-10(11)18-13(16)8(2)3;1-4-11(14)10-7-9(5-6-12(10)15)17-13(16)8(2)3;1-4-11(15)10-7-9(14)5-6-12(10)17-13(16)8(2)3;1-7(2)11(14)17-8-4-5-10(13)9(6-8)12(15)16-3;1-7(2)11(14)17-10-5-4-8(13)6-9(10)12(15)16-3;1-7(2)12(15)17-9-4-5-10(14)11(6-9)16-8(3)13;1-7(2)12(15)17-10-5-4-9(14)6-11(10)16-8(3)13/h4*5-7,14H,2,4H2,1,3H3;5-7,15H,2,4H2,1,3H3;5-7,14H,2,4H2,1,3H3;2*4-6,13H,1H2,2-3H3;2*4-6,14H,1H2,2-3H3.
What are the key properties of (2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate?
(2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate has a molecular weight of 2414.39 g/mol, XLogP of 20.33, 36 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate is sourced from PubChem (CID 162227885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).