(E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid

C10H9IO2 — CID 6312944

IUPAC(E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid
SMILESC/C(=C\c1ccc(I)cc1)C(=O)O
InChIInChI=1S/C10H9IO2/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)/b7-6+
InChIKeyAYDTUSBVGIWIOU-VOTSOKGWSA-N
MW288.08 g/mol
LogP2.78
Rot. Bonds2

About (E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid

(E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid (PubChem CID 6312944) has the molecular formula C10H9IO2 and a molecular weight of 288.08 g/mol. Its IUPAC name is (E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid
PubChem CID6312944
Molecular FormulaC10H9IO2
Molecular Weight288.08 g/mol
Exact Mass287.96
IUPAC Name(E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid
SMILESC/C(=C\c1ccc(I)cc1)C(=O)O
InChIInChI=1S/C10H9IO2/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)/b7-6+
InChIKeyAYDTUSBVGIWIOU-VOTSOKGWSA-N
XLogP2.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
3-(4-iodophenyl)-2-methylprop-2-enamide
CID 70292207
3-(4-acetylphenyl)-2-methylprop-2-enoic acid
CID 67022362
magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 173177679
(E)-3-(4-chlorophenyl)-2-methylprop-2-enoic acid;ethane
CID 156638476
(E)-3-[4-[(E)-2-carboxyethenyl]phenyl]-2-methylprop-2-enoic acid
CID 170873087
3-(4-carbamoylphenyl)-2-methylprop-2-enoic acid
CID 79725913
3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid
CID 67022405
(Z)-3-(4-cyanophenyl)-2-methylprop-2-enoic acid
CID 55255959
2-methyl-3-(4-methylsulfinylphenyl)prop-2-enoic acid
CID 70464534
3-(4-anilinophenyl)-2-methylprop-2-enoic acid
CID 54444662
3-[4-(4-tert-butylphenyl)phenyl]-2-methylprop-2-enoic acid
CID 69194959

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid?
The IUPAC name of (E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid (CID 6312944) is (E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for (E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid is C/C(=C\c1ccc(I)cc1)C(=O)O.
What is the InChIKey of (E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid?
The InChIKey is AYDTUSBVGIWIOU-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H9IO2/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)/b7-6+.
What are the key properties of (E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid?
(E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid has a molecular weight of 288.08 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 6312944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).