(E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid

C20H20O6 — CID 162065004

IUPAC(E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid
SMILESC/C(O)=C(/C(=O)O)c1ccccc1.C/C=C(/C(=O)O)c1ccc(O)cc1
InChIInChI=1S/2C10H10O3/c1-7(11)9(10(12)13)8-5-3-2-4-6-8;1-2-9(10(12)13)7-3-5-8(11)6-4-7/h2*2-6,11H,1H3,(H,12,13)/b9-7-;9-2+
InChIKeyZAIOXHYVYATWOD-XUEDAZQPSA-N
MW356.37 g/mol
LogP3.94
Rot. Bonds4

About (E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid

(E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid (PubChem CID 162065004) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is (E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid.

Molecular Properties

Compound Name(E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid
PubChem CID162065004
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name(E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid
SMILESC/C(O)=C(/C(=O)O)c1ccccc1.C/C=C(/C(=O)O)c1ccc(O)cc1
InChIInChI=1S/2C10H10O3/c1-7(11)9(10(12)13)8-5-3-2-4-6-8;1-2-9(10(12)13)7-3-5-8(11)6-4-7/h2*2-6,11H,1H3,(H,12,13)/b9-7-;9-2+
InChIKeyZAIOXHYVYATWOD-XUEDAZQPSA-N
XLogP3.94
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-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

benzoic acid;4-but-2-en-2-ylphenol
CID 71383513
(E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one
CID 14547201
3,4-dihydroxy-2,5-diphenylhexa-2,4-dienedioic acid
CID 162948831
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
(Z)-2-methyl-3-phenylbut-2-enedioic acid
CID 66610285
2-methyl-3-phenylbut-2-enedioic acid
CID 54439323
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one
CID 168881643
2-phenylbut-2-enoate
CID 4099750
(E)-2-phenylbut-2-enoate
CID 6379118
(E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 5378867
benzene-1,4-diol;benzoic acid
CID 67019242

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid?
The IUPAC name of (E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid (CID 162065004) is (E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid.
What is the SMILES notation for (E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid?
The canonical SMILES for (E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid is C/C(O)=C(/C(=O)O)c1ccccc1.C/C=C(/C(=O)O)c1ccc(O)cc1.
What is the InChIKey of (E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid?
The InChIKey is ZAIOXHYVYATWOD-XUEDAZQPSA-N. The full InChI is InChI=1S/2C10H10O3/c1-7(11)9(10(12)13)8-5-3-2-4-6-8;1-2-9(10(12)13)7-3-5-8(11)6-4-7/h2*2-6,11H,1H3,(H,12,13)/b9-7-;9-2+.
What are the key properties of (E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid?
(E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid has a molecular weight of 356.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid is sourced from PubChem (CID 162065004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).