2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid

C16H14O5S — CID 9448715

IUPAC2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid
SMILESCOc1cc(C(=O)/C=C/c2ccsc2)ccc1OCC(=O)O
InChIInChI=1S/C16H14O5S/c1-20-15-8-12(3-5-14(15)21-9-16(18)19)13(17)4-2-11-6-7-22-10-11/h2-8,10H,9H2,1H3,(H,18,19)/b4-2+
InChIKeyHSAXVZGVUDMMPO-DUXPYHPUSA-N
MW318.35 g/mol
LogP3.12
Rot. Bonds7

About 2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid

2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid (PubChem CID 9448715) has the molecular formula C16H14O5S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid
PubChem CID9448715
Molecular FormulaC16H14O5S
Molecular Weight318.35 g/mol
Exact Mass318.06
IUPAC Name2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid
SMILESCOc1cc(C(=O)/C=C/c2ccsc2)ccc1OCC(=O)O
InChIInChI=1S/C16H14O5S/c1-20-15-8-12(3-5-14(15)21-9-16(18)19)13(17)4-2-11-6-7-22-10-11/h2-8,10H,9H2,1H3,(H,18,19)/b4-2+
InChIKeyHSAXVZGVUDMMPO-DUXPYHPUSA-N
XLogP3.12
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid
CID 8859274
1-(3-fluoro-4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one
CID 75853663
2-[2-methoxy-4-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenoxy]acetic acid
CID 56971492
2-[4-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 7973385
2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 8856879
1-(3-methoxy-4-methylsulfanylphenyl)-3-thiophen-3-ylprop-2-en-1-one
CID 78905959
2-[4-[3-(3-fluorophenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 4988069
3-[4-[(E)-3-[4-(carboxymethoxy)-3-methoxyphenyl]-3-oxoprop-1-enyl]phenoxy]propanoic acid
CID 55727835
2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 9448707
2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 3876210
2-[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 9448690
2-[4-[(E)-3-[4-(difluoromethoxy)-3,5-dimethylphenyl]prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 9448746

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid (CID 9448715) is 2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid is COc1cc(C(=O)/C=C/c2ccsc2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid?
The InChIKey is HSAXVZGVUDMMPO-DUXPYHPUSA-N. The full InChI is InChI=1S/C16H14O5S/c1-20-15-8-12(3-5-14(15)21-9-16(18)19)13(17)4-2-11-6-7-22-10-11/h2-8,10H,9H2,1H3,(H,18,19)/b4-2+.
What are the key properties of 2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid?
2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid has a molecular weight of 318.35 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid is sourced from PubChem (CID 9448715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).