(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate

C14H12O3S — CID 137442894

IUPAC(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
SMILESCOc1ccc(OC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C14H12O3S/c1-16-11-4-6-12(7-5-11)17-14(15)9-8-13-3-2-10-18-13/h2-10H,1H3/b9-8+
InChIKeyOUMIEVXALYFLMR-CMDGGOBGSA-N
MW260.31 g/mol
LogP3.38
Rot. Bonds4

About (4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate

(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 137442894) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is (4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID137442894
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
SMILESCOc1ccc(OC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C14H12O3S/c1-16-11-4-6-12(7-5-11)17-14(15)9-8-13-3-2-10-18-13/h2-10H,1H3/b9-8+
InChIKeyOUMIEVXALYFLMR-CMDGGOBGSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 4202391
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3-thiophen-2-ylprop-2-enoate
CID 4813559
naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate
CID 8886119
(Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 92909536
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
(2-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 3428399
(3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 8840192
1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 2778338
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
(E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 139582326
(dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate
CID 122223996
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 46788413

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of (4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate (CID 137442894) is (4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for (4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for (4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate is COc1ccc(OC(=O)/C=C/c2cccs2)cc1.
What is the InChIKey of (4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is OUMIEVXALYFLMR-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12O3S/c1-16-11-4-6-12(7-5-11)17-14(15)9-8-13-3-2-10-18-13/h2-10H,1H3/b9-8+.
What are the key properties of (4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate?
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 260.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 137442894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).