(Z)-2-(4-iodophenyl)but-2-enedioic acid

C10H7IO4 — CID 138690154

IUPAC(Z)-2-(4-iodophenyl)but-2-enedioic acid
SMILESO=C(O)/C=C(\C(=O)O)c1ccc(I)cc1
InChIInChI=1S/C10H7IO4/c11-7-3-1-6(2-4-7)8(10(14)15)5-9(12)13/h1-5H,(H,12,13)(H,14,15)/b8-5-
InChIKeyCBYOMLUWTWAHQJ-YVMONPNESA-N
MW318.07 g/mol
LogP1.84
Rot. Bonds3

About (Z)-2-(4-iodophenyl)but-2-enedioic acid

(Z)-2-(4-iodophenyl)but-2-enedioic acid (PubChem CID 138690154) has the molecular formula C10H7IO4 and a molecular weight of 318.07 g/mol. Its IUPAC name is (Z)-2-(4-iodophenyl)but-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-(4-iodophenyl)but-2-enedioic acid
PubChem CID138690154
Molecular FormulaC10H7IO4
Molecular Weight318.07 g/mol
Exact Mass317.94
IUPAC Name(Z)-2-(4-iodophenyl)but-2-enedioic acid
SMILESO=C(O)/C=C(\C(=O)O)c1ccc(I)cc1
InChIInChI=1S/C10H7IO4/c11-7-3-1-6(2-4-7)8(10(14)15)5-9(12)13/h1-5H,(H,12,13)(H,14,15)/b8-5-
InChIKeyCBYOMLUWTWAHQJ-YVMONPNESA-N
XLogP1.84
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.07
LogP ≤ 51.84
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'}

Analyze (Z)-2-(4-iodophenyl)but-2-enedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-(4-bromophenyl)but-2-enedioic acid
CID 11777948
(E)-3-(4-iodophenyl)but-2-enoic acid
CID 131527312
(E)-3-(4-bromophenyl)-2-(4-iodophenyl)prop-2-enoic acid
CID 6387537
3-(4-bromophenyl)-2-(4-iodophenyl)prop-2-enoic acid
CID 4711770
4-iodobenzoic acid;nickel
CID 54603201
bis[4-(4-iodobenzoyl)phenyl]methanone
CID 22494471
2-(4-fluorophenyl)-4-oxopent-2-enoic acid
CID 142782295
(Z)-4-oxo-3-phenyl-4-sulfanylbut-2-enoic acid
CID 87803480
(E)-4-oxo-2-phenyl-4-sulfanylbut-2-enoic acid
CID 87803476
(Z)-2-[4-(1-methyl-2H-pyridin-2-yl)phenyl]but-2-enedioic acid
CID 175959718
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
ethane;1-(4-iodophenyl)ethanone
CID 159760217

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-iodophenyl)but-2-enedioic acid?
The IUPAC name of (Z)-2-(4-iodophenyl)but-2-enedioic acid (CID 138690154) is (Z)-2-(4-iodophenyl)but-2-enedioic acid.
What is the SMILES notation for (Z)-2-(4-iodophenyl)but-2-enedioic acid?
The canonical SMILES for (Z)-2-(4-iodophenyl)but-2-enedioic acid is O=C(O)/C=C(\C(=O)O)c1ccc(I)cc1.
What is the InChIKey of (Z)-2-(4-iodophenyl)but-2-enedioic acid?
The InChIKey is CBYOMLUWTWAHQJ-YVMONPNESA-N. The full InChI is InChI=1S/C10H7IO4/c11-7-3-1-6(2-4-7)8(10(14)15)5-9(12)13/h1-5H,(H,12,13)(H,14,15)/b8-5-.
What are the key properties of (Z)-2-(4-iodophenyl)but-2-enedioic acid?
(Z)-2-(4-iodophenyl)but-2-enedioic acid has a molecular weight of 318.07 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-iodophenyl)but-2-enedioic acid is sourced from PubChem (CID 138690154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).