(2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid

C19H18O4 — CID 92526668

IUPAC(2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid
SMILESCc1ccc(/C=C(/c2ccccc2)C(CC(=O)O)C(=O)O)cc1
InChIInChI=1S/C19H18O4/c1-13-7-9-14(10-8-13)11-16(15-5-3-2-4-6-15)17(19(22)23)12-18(20)21/h2-11,17H,12H2,1H3,(H,20,21)(H,22,23)/b16-11-
InChIKeyZRVAPWLEIGHBCB-WJDWOHSUSA-N
MW310.35 g/mol
LogP3.71
Rot. Bonds6

About (2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid

(2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid (PubChem CID 92526668) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid
PubChem CID92526668
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid
SMILESCc1ccc(/C=C(/c2ccccc2)C(CC(=O)O)C(=O)O)cc1
InChIInChI=1S/C19H18O4/c1-13-7-9-14(10-8-13)11-16(15-5-3-2-4-6-15)17(19(22)23)12-18(20)21/h2-11,17H,12H2,1H3,(H,20,21)(H,22,23)/b16-11-
InChIKeyZRVAPWLEIGHBCB-WJDWOHSUSA-N
XLogP3.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic 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

diethyl 2-[(Z)-1,2-diphenylethenyl]butanedioate
CID 101392631
(1Z)-4-methyl-1-(4-methylphenyl)-2-phenylpenta-1,4-dien-3-ol
CID 142404372
2-[(4-methylphenyl)methylidene]-1-phenylbutane-1,3-dione
CID 23267679
1-[(E)-2-bromo-2-phenylethenyl]-4-methylbenzene
CID 102070400
(E)-2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 158443747
[(Z)-1-(4-methylphenyl)-3-oxo-3-phenylprop-1-en-2-yl] acetate
CID 132576918
(Z)-3-(4-methylphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 102229425
[(E)-1-fluoro-2-(4-methylphenyl)ethenyl] benzoate
CID 135004942
(E,2S)-3,4-diphenylbut-3-en-2-ol
CID 177489258
(E,3S)-3-(hydroxymethyl)-5-(4-methylphenyl)-1-phenylpent-4-en-1-one
CID 101476658
1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene
CID 71562360
(E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid
CID 22261798

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid?
The IUPAC name of (2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid (CID 92526668) is (2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid.
What is the SMILES notation for (2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid?
The canonical SMILES for (2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid is Cc1ccc(/C=C(/c2ccccc2)C(CC(=O)O)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid?
The InChIKey is ZRVAPWLEIGHBCB-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H18O4/c1-13-7-9-14(10-8-13)11-16(15-5-3-2-4-6-15)17(19(22)23)12-18(20)21/h2-11,17H,12H2,1H3,(H,20,21)(H,22,23)/b16-11-.
What are the key properties of (2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid?
(2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid has a molecular weight of 310.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-2-(4-methylphenyl)-1-phenylethenyl]butanedioic acid is sourced from PubChem (CID 92526668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).