(E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid

C32H26O4 — CID 11454316

IUPAC(E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
SMILESCC/C(=C(\c1ccc(/C=C/C(=O)O)cc1)c1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C32H26O4/c1-2-29(24-9-5-3-6-10-24)31(25-16-13-23(14-17-25)15-22-30(33)34)26-18-20-28(21-19-26)36-32(35)27-11-7-4-8-12-27/h3-22H,2H2,1H3,(H,33,34)/b22-15+,31-29-
InChIKeyMRSXABSWLPGUKI-XAGRJKKMSA-N
MW474.56 g/mol
LogP7.37
Rot. Bonds8

About (E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid

(E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid (PubChem CID 11454316) has the molecular formula C32H26O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is (E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
PubChem CID11454316
Molecular FormulaC32H26O4
Molecular Weight474.56 g/mol
Exact Mass474.18
IUPAC Name(E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
SMILESCC/C(=C(\c1ccc(/C=C/C(=O)O)cc1)c1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C32H26O4/c1-2-29(24-9-5-3-6-10-24)31(25-16-13-23(14-17-25)15-22-30(33)34)26-18-20-28(21-19-26)36-32(35)27-11-7-4-8-12-27/h3-22H,2H2,1H3,(H,33,34)/b22-15+,31-29-
InChIKeyMRSXABSWLPGUKI-XAGRJKKMSA-N
XLogP7.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic 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

(E)-3-[4-[(E)-1,2-diphenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 22144591
(E)-3-[4-[(Z)-1-[4-(2-chloroacetyl)oxyphenyl]-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 58877667
(E)-3-[4-[(E)-1-[4-(4-nitrophenoxy)carbonyloxyphenyl]-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 69301922
(E)-3-[4-(4-propoxybenzoyl)oxyphenyl]prop-2-enoic acid
CID 70287958
[4-[(Z)-1-(4-formylphenyl)-2-phenylbut-1-enyl]phenyl] propanoate
CID 86760739
[4-[(1E,6E)-7-(4-benzoyloxyphenyl)-3,5-dioxohepta-1,6-dienyl]phenyl] benzoate
CID 45276598
[4-[(E)-1,2-diphenylbut-1-enyl]phenyl] 1-methylpyridin-1-ium-3-carboxylate
CID 122212678
3-[4-(4-aminobenzoyl)oxyphenyl]prop-2-enoic acid
CID 126495558
(E)-3-[4-[(E)-2-phenyl-1-[4-(1H-pyrazol-5-yl)phenyl]but-1-enyl]phenyl]prop-2-enoic acid
CID 86270988
3-[4-[1-(3H-benzimidazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 66802302
(E)-3-[4-[(E)-1-(1H-indol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 56942249
(E)-3-[4-[(E)-2-phenyl-1-[4-(1,3-thiazol-4-yl)phenyl]but-1-enyl]phenyl]prop-2-enoic acid
CID 86271086

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid (CID 11454316) is (E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid is CC/C(=C(\c1ccc(/C=C/C(=O)O)cc1)c1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid?
The InChIKey is MRSXABSWLPGUKI-XAGRJKKMSA-N. The full InChI is InChI=1S/C32H26O4/c1-2-29(24-9-5-3-6-10-24)31(25-16-13-23(14-17-25)15-22-30(33)34)26-18-20-28(21-19-26)36-32(35)27-11-7-4-8-12-27/h3-22H,2H2,1H3,(H,33,34)/b22-15+,31-29-.
What are the key properties of (E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid?
(E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid has a molecular weight of 474.56 g/mol, XLogP of 7.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(Z)-1-(4-benzoyloxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 11454316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).