3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid

C14H18O5 — CID 77065328

IUPAC3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid
SMILESCOCCOCc1cc(OC)ccc1C=CC(=O)O
InChIInChI=1S/C14H18O5/c1-17-7-8-19-10-12-9-13(18-2)5-3-11(12)4-6-14(15)16/h3-6,9H,7-8,10H2,1-2H3,(H,15,16)
InChIKeyGPKPLCYWROABHU-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.96
Rot. Bonds8

About 3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid

3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid (PubChem CID 77065328) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid
PubChem CID77065328
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid
SMILESCOCCOCc1cc(OC)ccc1C=CC(=O)O
InChIInChI=1S/C14H18O5/c1-17-7-8-19-10-12-9-13(18-2)5-3-11(12)4-6-14(15)16/h3-6,9H,7-8,10H2,1-2H3,(H,15,16)
InChIKeyGPKPLCYWROABHU-UHFFFAOYSA-N
XLogP1.96
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-methoxy-2-(2-methoxyethoxymethyl)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

3-[4-methoxy-2-(4-methylpentoxymethyl)phenyl]prop-2-enoic acid
CID 77065375
(E)-3-[5-fluoro-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid
CID 94233123
3-[4-methoxy-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 77065366
(E)-3-[4-methoxy-2-(pentan-2-yloxymethyl)phenyl]prop-2-enoic acid
CID 102983306
3-[2-(ethylsulfanylmethyl)-4-methoxyphenyl]prop-2-enoic acid
CID 77065362
(E)-3-[2-[3-(2-methoxyethoxy)propoxymethyl]phenyl]prop-2-enoic acid
CID 103404278
3-[4-methoxy-2-(propylsulfanylmethyl)phenyl]prop-2-enoic acid
CID 77065394
3-[2-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-enoic acid
CID 77065435
3-[4-methoxy-2-[(4-methylpiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 77065455
(Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid
CID 89026724
3-[4-methoxy-2-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enoic acid
CID 77065371
(E)-3-[2-fluoro-5-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid
CID 94233124

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid (CID 77065328) is 3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid is COCCOCc1cc(OC)ccc1C=CC(=O)O.
What is the InChIKey of 3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid?
The InChIKey is GPKPLCYWROABHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-17-7-8-19-10-12-9-13(18-2)5-3-11(12)4-6-14(15)16/h3-6,9H,7-8,10H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid?
3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid has a molecular weight of 266.29 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 77065328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).