(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid

C10H8O4 — CID 5496307

IUPAC(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid
SMILESO=C(O)C(=O)/C=C(\O)c1ccccc1
InChIInChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-6,11H,(H,13,14)/b8-6-
InChIKeyQXZSEJLYYQDPRN-VURMDHGXSA-N
MW192.17 g/mol
LogP1.24
Rot. Bonds3

About (Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid

(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid (PubChem CID 5496307) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is (Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid
PubChem CID5496307
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid
SMILESO=C(O)C(=O)/C=C(\O)c1ccccc1
InChIInChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-6,11H,(H,13,14)/b8-6-
InChIKeyQXZSEJLYYQDPRN-VURMDHGXSA-N
XLogP1.24
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid?
The IUPAC name of (Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid (CID 5496307) is (Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid.
What is the SMILES notation for (Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid?
The canonical SMILES for (Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid is O=C(O)C(=O)/C=C(\O)c1ccccc1.
What is the InChIKey of (Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid?
The InChIKey is QXZSEJLYYQDPRN-VURMDHGXSA-N. The full InChI is InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-6,11H,(H,13,14)/b8-6-.
What are the key properties of (Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid?
(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid has a molecular weight of 192.17 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoic acid is sourced from PubChem (CID 5496307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).