2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid

C13H16O5 — CID 67569545

IUPAC2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid
SMILESCOCCOC(=C(OC)C(=O)O)c1ccccc1
InChIInChI=1S/C13H16O5/c1-16-8-9-18-11(12(17-2)13(14)15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)
InChIKeyAOPRXWYMVCLGMC-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.75
Rot. Bonds7

About 2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid

2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid (PubChem CID 67569545) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid
PubChem CID67569545
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid
SMILESCOCCOC(=C(OC)C(=O)O)c1ccccc1
InChIInChI=1S/C13H16O5/c1-16-8-9-18-11(12(17-2)13(14)15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)
InChIKeyAOPRXWYMVCLGMC-UHFFFAOYSA-N
XLogP1.75
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 174560204
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3-methoxy-2-methyl-3-phenylprop-2-enoic acid
CID 57324055
3-methoxy-2,3-diphenylprop-2-enoic acid
CID 69030930
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
2-methoxyethyl N-(benzenecarboximidoyl)carbamate
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2-methoxyethoxymethyl benzoate
CID 11275823
N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide
CID 91616878
2-[ethoxy(phenyl)methylidene]propanedioic acid
CID 69168972
2-methoxy-3-phenylundec-2-enoic acid
CID 54315676
2-methoxyethyl (NZ)-N-(2-methyl-1-phenylpropylidene)carbamate
CID 142227662

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid?
The IUPAC name of 2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid (CID 67569545) is 2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid.
What is the SMILES notation for 2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid?
The canonical SMILES for 2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid is COCCOC(=C(OC)C(=O)O)c1ccccc1.
What is the InChIKey of 2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid?
The InChIKey is AOPRXWYMVCLGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-16-8-9-18-11(12(17-2)13(14)15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15).
What are the key properties of 2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid?
2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid is sourced from PubChem (CID 67569545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).