(Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid

C10H9ClO3 — CID 115007361

IUPAC(Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid
SMILESO=C(O)/C(O)=C/Cc1cccc(Cl)c1
InChIInChI=1S/C10H9ClO3/c11-8-3-1-2-7(6-8)4-5-9(12)10(13)14/h1-3,5-6,12H,4H2,(H,13,14)/b9-5-
InChIKeyQIQHVWQHMBLRDK-UITAMQMPSA-N
MW212.63 g/mol
LogP2.41
Rot. Bonds3

About (Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid

(Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid (PubChem CID 115007361) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is (Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid
PubChem CID115007361
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name(Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid
SMILESO=C(O)/C(O)=C/Cc1cccc(Cl)c1
InChIInChI=1S/C10H9ClO3/c11-8-3-1-2-7(6-8)4-5-9(12)10(13)14/h1-3,5-6,12H,4H2,(H,13,14)/b9-5-
InChIKeyQIQHVWQHMBLRDK-UITAMQMPSA-N
XLogP2.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid?
The IUPAC name of (Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid (CID 115007361) is (Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid.
What is the SMILES notation for (Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid?
The canonical SMILES for (Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid is O=C(O)/C(O)=C/Cc1cccc(Cl)c1.
What is the InChIKey of (Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid?
The InChIKey is QIQHVWQHMBLRDK-UITAMQMPSA-N. The full InChI is InChI=1S/C10H9ClO3/c11-8-3-1-2-7(6-8)4-5-9(12)10(13)14/h1-3,5-6,12H,4H2,(H,13,14)/b9-5-.
What are the key properties of (Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid?
(Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid has a molecular weight of 212.63 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid is sourced from PubChem (CID 115007361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).