(E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid

C15H14O4S — CID 43646383

IUPAC(E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid
SMILESCOc1ccc(/C=C/C(=O)O)cc1OCc1ccsc1
InChIInChI=1S/C15H14O4S/c1-18-13-4-2-11(3-5-15(16)17)8-14(13)19-9-12-6-7-20-10-12/h2-8,10H,9H2,1H3,(H,16,17)/b5-3+
InChIKeyUAFNXJKIYIZYCH-HWKANZROSA-N
MW290.34 g/mol
LogP3.43
Rot. Bonds6

About (E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid

(E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid (PubChem CID 43646383) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is (E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid
PubChem CID43646383
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name(E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid
SMILESCOc1ccc(/C=C/C(=O)O)cc1OCc1ccsc1
InChIInChI=1S/C15H14O4S/c1-18-13-4-2-11(3-5-15(16)17)8-14(13)19-9-12-6-7-20-10-12/h2-8,10H,9H2,1H3,(H,16,17)/b5-3+
InChIKeyUAFNXJKIYIZYCH-HWKANZROSA-N
XLogP3.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic 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

(E)-3-[3-bromo-4-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 55145814
3-[3-[(4-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]prop-2-enoic acid
CID 76918719
(E)-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enoic acid
CID 29018494
(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 20534154
(E)-3-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 42314643
(E)-3-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 107699473
(E)-3-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoic acid
CID 42232065
4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one
CID 165351564
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
(E)-3-[4-(fluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 168908115
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 4652824
3-[4-methoxy-3-(2-propan-2-yloxyethoxy)phenyl]prop-2-enoic acid
CID 76890239

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid (CID 43646383) is (E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid is COc1ccc(/C=C/C(=O)O)cc1OCc1ccsc1.
What is the InChIKey of (E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid?
The InChIKey is UAFNXJKIYIZYCH-HWKANZROSA-N. The full InChI is InChI=1S/C15H14O4S/c1-18-13-4-2-11(3-5-15(16)17)8-14(13)19-9-12-6-7-20-10-12/h2-8,10H,9H2,1H3,(H,16,17)/b5-3+.
What are the key properties of (E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid?
(E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid has a molecular weight of 290.34 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 43646383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).