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

C10H7BrO4 — CID 11777948

IUPAC(Z)-2-(4-bromophenyl)but-2-enedioic acid
SMILESO=C(O)/C=C(\C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C10H7BrO4/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-
InChIKeyPWXVWQVGOALFSX-YVMONPNESA-N
MW271.07 g/mol
LogP2.00
Rot. Bonds3

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

(Z)-2-(4-bromophenyl)but-2-enedioic acid (PubChem CID 11777948) has the molecular formula C10H7BrO4 and a molecular weight of 271.07 g/mol. Its IUPAC name is (Z)-2-(4-bromophenyl)but-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-(4-bromophenyl)but-2-enedioic acid
PubChem CID11777948
Molecular FormulaC10H7BrO4
Molecular Weight271.07 g/mol
Exact Mass269.95
IUPAC Name(Z)-2-(4-bromophenyl)but-2-enedioic acid
SMILESO=C(O)/C=C(\C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C10H7BrO4/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-
InChIKeyPWXVWQVGOALFSX-YVMONPNESA-N
XLogP2.00
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-(4-bromophenyl)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-iodophenyl)but-2-enedioic acid
CID 138690154
(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
(E)-2-(4-bromophenyl)-1-phenylbut-2-en-1-one
CID 135044201
2-[(Z)-2-(4-bromophenyl)-2-carboxyethenyl]benzoic acid
CID 112721015
4-bromobenzoic acid;copper
CID 67824318
(E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid
CID 82308028
(Z)-2-(2,3,4-tribromophenyl)but-2-enedioic acid
CID 151067842
2-(4-bromophenyl)-4,4,4-trifluoro-1-phenylbut-2-en-1-one
CID 71421957
2-(4-bromophenyl)-2-oxoacetyl bromide
CID 57469239
(Z)-2-(4-methoxy-3-methylphenyl)but-2-enedioic acid
CID 82116687
tert-butyl 2-(4-bromophenyl)but-2-enoate
CID 174602694

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-bromophenyl)but-2-enedioic acid?
The IUPAC name of (Z)-2-(4-bromophenyl)but-2-enedioic acid (CID 11777948) is (Z)-2-(4-bromophenyl)but-2-enedioic acid.
What is the SMILES notation for (Z)-2-(4-bromophenyl)but-2-enedioic acid?
The canonical SMILES for (Z)-2-(4-bromophenyl)but-2-enedioic acid is O=C(O)/C=C(\C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of (Z)-2-(4-bromophenyl)but-2-enedioic acid?
The InChIKey is PWXVWQVGOALFSX-YVMONPNESA-N. The full InChI is InChI=1S/C10H7BrO4/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-bromophenyl)but-2-enedioic acid?
(Z)-2-(4-bromophenyl)but-2-enedioic acid has a molecular weight of 271.07 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-bromophenyl)but-2-enedioic acid is sourced from PubChem (CID 11777948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).