(Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid

C14H12O3S — CID 6390190

IUPAC(Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
SMILESCOc1ccc(/C=C(/C(=O)O)c2cccs2)cc1
InChIInChI=1S/C14H12O3S/c1-17-11-6-4-10(5-7-11)9-12(14(15)16)13-3-2-8-18-13/h2-9H,1H3,(H,15,16)/b12-9+
InChIKeyMEIFYXYZGUQOKP-FMIVXFBMSA-N
MW260.31 g/mol
LogP3.38
Rot. Bonds4

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

(Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid (PubChem CID 6390190) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is (Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
PubChem CID6390190
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name(Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
SMILESCOc1ccc(/C=C(/C(=O)O)c2cccs2)cc1
InChIInChI=1S/C14H12O3S/c1-17-11-6-4-10(5-7-11)9-12(14(15)16)13-3-2-8-18-13/h2-9H,1H3,(H,15,16)/b12-9+
InChIKeyMEIFYXYZGUQOKP-FMIVXFBMSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.38
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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Related Compounds

(Z)-3-[4-(3,4-dimethylphenoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 20992525
(Z)-3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 70201562
(E)-3-[4-[2-(4-fluorophenoxy)ethoxy]phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 22685046
(E)-3-[4-(4-chloro-3-methylphenoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 20985018
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 20994247
(E)-3-(3,5-dichlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 60789884
(Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid
CID 22684789
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 3119793
(Z)-3-[3-methoxy-4-(3-phenylpropoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 20989344
3-(4-chloro-3-fluorophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 76916085
(E)-3-[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 20986596

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid?
The IUPAC name of (Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid (CID 6390190) is (Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid is COc1ccc(/C=C(/C(=O)O)c2cccs2)cc1.
What is the InChIKey of (Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid?
The InChIKey is MEIFYXYZGUQOKP-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H12O3S/c1-17-11-6-4-10(5-7-11)9-12(14(15)16)13-3-2-8-18-13/h2-9H,1H3,(H,15,16)/b12-9+.
What are the key properties of (Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid?
(Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid has a molecular weight of 260.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid is sourced from PubChem (CID 6390190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).