(Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid

C15H14O3S — CID 83951576

IUPAC(Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2cccs2)C(=O)O)c(C)c1
InChIInChI=1S/C15H14O3S/c1-10-8-11(18-2)5-6-13(10)14(15(16)17)9-12-4-3-7-19-12/h3-9H,1-2H3,(H,16,17)/b14-9-
InChIKeyLVNNVLXTPGYJRV-ZROIWOOFSA-N
MW274.34 g/mol
LogP3.69
Rot. Bonds4

About (Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid

(Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid (PubChem CID 83951576) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is (Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid
PubChem CID83951576
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name(Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2cccs2)C(=O)O)c(C)c1
InChIInChI=1S/C15H14O3S/c1-10-8-11(18-2)5-6-13(10)14(15(16)17)9-12-4-3-7-19-12/h3-9H,1-2H3,(H,16,17)/b14-9-
InChIKeyLVNNVLXTPGYJRV-ZROIWOOFSA-N
XLogP3.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid?
The IUPAC name of (Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid (CID 83951576) is (Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid is COc1ccc(/C(=C/c2cccs2)C(=O)O)c(C)c1.
What is the InChIKey of (Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid?
The InChIKey is LVNNVLXTPGYJRV-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H14O3S/c1-10-8-11(18-2)5-6-13(10)14(15(16)17)9-12-4-3-7-19-12/h3-9H,1-2H3,(H,16,17)/b14-9-.
What are the key properties of (Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid?
(Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid has a molecular weight of 274.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid is sourced from PubChem (CID 83951576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).