[(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate

C14H15IO5 — CID 142377177

IUPAC[(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OI(OC(=O)C(=C)C)c1ccc(O)cc1
InChIInChI=1S/C14H15IO5/c1-9(2)13(17)19-15(20-14(18)10(3)4)11-5-7-12(16)8-6-11/h5-8,16H,1,3H2,2,4H3
InChIKeyAZDOCHSQFFPLQV-UHFFFAOYSA-N
MW390.17 g/mol
LogP3.14
Rot. Bonds5

About [(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate

[(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate (PubChem CID 142377177) has the molecular formula C14H15IO5 and a molecular weight of 390.17 g/mol. Its IUPAC name is [(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate
PubChem CID142377177
Molecular FormulaC14H15IO5
Molecular Weight390.17 g/mol
Exact Mass390.00
IUPAC Name[(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OI(OC(=O)C(=C)C)c1ccc(O)cc1
InChIInChI=1S/C14H15IO5/c1-9(2)13(17)19-15(20-14(18)10(3)4)11-5-7-12(16)8-6-11/h5-8,16H,1,3H2,2,4H3
InChIKeyAZDOCHSQFFPLQV-UHFFFAOYSA-N
XLogP3.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.17
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate
CID 154601304
[acetyloxy-[4-[tris[4-(diacetyloxy-λ3-iodanyl)phenyl]methyl]phenyl]-λ3-iodanyl] acetate
CID 11320826
[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate
CID 168800149
benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid)
CID 67862171
2-(4-hydroxyphenyl)sulfanylethyl 2-methylprop-2-enoate
CID 57001290
2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate
CID 89122297
(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
CID 59524611
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate
CID 118331665
[2-[[2-(2-methylprop-2-enoylsulfanyl)acetyl]oxy-phenyl-λ3-iodanyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 142377150
[3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 139671519
(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
CID 59524574
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158568782

Frequently Asked Questions

What is the IUPAC name of [(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate?
The IUPAC name of [(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate (CID 142377177) is [(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate?
The canonical SMILES for [(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate is C=C(C)C(=O)OI(OC(=O)C(=C)C)c1ccc(O)cc1.
What is the InChIKey of [(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate?
The InChIKey is AZDOCHSQFFPLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IO5/c1-9(2)13(17)19-15(20-14(18)10(3)4)11-5-7-12(16)8-6-11/h5-8,16H,1,3H2,2,4H3.
What are the key properties of [(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate?
[(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate has a molecular weight of 390.17 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate is sourced from PubChem (CID 142377177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).