(E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid

C15H10I2O3 — CID 23619429

IUPAC(E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1cc(I)c(O)c(I)c1)c1ccccc1
InChIInChI=1S/C15H10I2O3/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10/h1-8,18H,(H,19,20)/b11-6+
InChIKeyXHJGWIGENJUFRC-IZZDOVSWSA-N
MW492.05 g/mol
LogP4.23
Rot. Bonds3

About (E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid

(E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid (PubChem CID 23619429) has the molecular formula C15H10I2O3 and a molecular weight of 492.05 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid
PubChem CID23619429
Molecular FormulaC15H10I2O3
Molecular Weight492.05 g/mol
Exact Mass491.87
IUPAC Name(E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1cc(I)c(O)c(I)c1)c1ccccc1
InChIInChI=1S/C15H10I2O3/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10/h1-8,18H,(H,19,20)/b11-6+
InChIKeyXHJGWIGENJUFRC-IZZDOVSWSA-N
XLogP4.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.05
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethylphenyl)-2-phenylprop-2-enoic acid
CID 76916002
(E)-2-benzoyl-3-(4-hydroxy-3,5-diiodophenyl)prop-2-enenitrile
CID 21381872
(Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid
CID 43344010
3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
CID 76914513
(E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid
CID 102461525
(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83950818
(E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium
CID 59041030
(Z)-3-(3-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239542
(Z)-3-(4-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239549
(Z)-3-(3-ethoxycarbonylphenyl)-2-phenylprop-2-enoic acid
CID 70571003
(Z)-2-(4-hydroxyphenyl)-3-naphthalen-2-ylprop-2-enoic acid
CID 67704998
(E)-2-(4-ethylphenyl)-3-phenylprop-2-enoic acid
CID 125466600

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid?
The IUPAC name of (E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid (CID 23619429) is (E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid?
The canonical SMILES for (E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid is O=C(O)/C(=C/c1cc(I)c(O)c(I)c1)c1ccccc1.
What is the InChIKey of (E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid?
The InChIKey is XHJGWIGENJUFRC-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H10I2O3/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10/h1-8,18H,(H,19,20)/b11-6+.
What are the key properties of (E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid?
(E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid has a molecular weight of 492.05 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid is sourced from PubChem (CID 23619429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).