(Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid

C13H10O3S — CID 155518506

IUPAC(Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C13H10O3S/c14-12(13(15)16)7-9-1-3-10(4-2-9)11-5-6-17-8-11/h1-8,14H,(H,15,16)/b12-7-
InChIKeyWKWCARCHYWKVNM-GHXNOFRVSA-N
MW246.29 g/mol
LogP3.40
Rot. Bonds3

About (Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid

(Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid (PubChem CID 155518506) has the molecular formula C13H10O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is (Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid
PubChem CID155518506
Molecular FormulaC13H10O3S
Molecular Weight246.29 g/mol
Exact Mass246.04
IUPAC Name(Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C13H10O3S/c14-12(13(15)16)7-9-1-3-10(4-2-9)11-5-6-17-8-11/h1-8,14H,(H,15,16)/b12-7-
InChIKeyWKWCARCHYWKVNM-GHXNOFRVSA-N
XLogP3.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid (CID 155518506) is (Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid is O=C(O)/C(O)=C/c1ccc(-c2ccsc2)cc1.
What is the InChIKey of (Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid?
The InChIKey is WKWCARCHYWKVNM-GHXNOFRVSA-N. The full InChI is InChI=1S/C13H10O3S/c14-12(13(15)16)7-9-1-3-10(4-2-9)11-5-6-17-8-11/h1-8,14H,(H,15,16)/b12-7-.
What are the key properties of (Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid?
(Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid has a molecular weight of 246.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-3-(4-thiophen-3-ylphenyl)prop-2-enoic acid is sourced from PubChem (CID 155518506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).