(Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid

C20H16O4 — CID 21425657

IUPAC(Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid
SMILESC=Cc1ccccc1/C(C(=O)O)=C(/C(=O)O)c1ccccc1C=C
InChIInChI=1S/C20H16O4/c1-3-13-9-5-7-11-15(13)17(19(21)22)18(20(23)24)16-12-8-6-10-14(16)4-2/h3-12H,1-2H2,(H,21,22)(H,23,24)/b18-17-
InChIKeyWLFXFFJBHUTVAG-ZCXUNETKSA-N
MW320.34 g/mol
LogP4.05
Rot. Bonds6

About (Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid

(Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid (PubChem CID 21425657) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is (Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid
PubChem CID21425657
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name(Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid
SMILESC=Cc1ccccc1/C(C(=O)O)=C(/C(=O)O)c1ccccc1C=C
InChIInChI=1S/C20H16O4/c1-3-13-9-5-7-11-15(13)17(19(21)22)18(20(23)24)16-12-8-6-10-14(16)4-2/h3-12H,1-2H2,(H,21,22)(H,23,24)/b18-17-
InChIKeyWLFXFFJBHUTVAG-ZCXUNETKSA-N
XLogP4.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(2-ethenylphenyl)-2-phenylethane-1,2-dione;hydrochloride
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tris(2-ethenylbenzoate);iron(3+)
CID 18680456
CID 173313975
CID 173313975
sodium 2-ethenylbenzoate
CID 23721872
1-(2-ethenylphenyl)ethanone;prop-2-enoic acid
CID 175101646
2-ethenyl-N-phenylbenzamide
CID 12541487
diphenylphosphoryl-(2-ethenylphenyl)methanone
CID 22592682
2-ethenylbenzoic acid;prop-1-en-2-ylbenzene
CID 174866821
CID 159564409
CID 159564409

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid?
The IUPAC name of (Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid (CID 21425657) is (Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid.
What is the SMILES notation for (Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid?
The canonical SMILES for (Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid is C=Cc1ccccc1/C(C(=O)O)=C(/C(=O)O)c1ccccc1C=C.
What is the InChIKey of (Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid?
The InChIKey is WLFXFFJBHUTVAG-ZCXUNETKSA-N. The full InChI is InChI=1S/C20H16O4/c1-3-13-9-5-7-11-15(13)17(19(21)22)18(20(23)24)16-12-8-6-10-14(16)4-2/h3-12H,1-2H2,(H,21,22)(H,23,24)/b18-17-.
What are the key properties of (Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid?
(Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid has a molecular weight of 320.34 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(2-ethenylphenyl)but-2-enedioic acid is sourced from PubChem (CID 21425657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).