(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate

C20H20O6 — CID 174832447

IUPAC(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
SMILESC=CCc1ccc(OCC(=O)Oc2ccc(C=O)cc2OC)c(OC)c1
InChIInChI=1S/C20H20O6/c1-4-5-14-6-8-16(18(10-14)23-2)25-13-20(22)26-17-9-7-15(12-21)11-19(17)24-3/h4,6-12H,1,5,13H2,2-3H3
InChIKeyKCUFDLSXRGPORF-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.23
Rot. Bonds9

About (4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate

(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate (PubChem CID 174832447) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is (4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate.

Molecular Properties

Compound Name(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
PubChem CID174832447
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
SMILESC=CCc1ccc(OCC(=O)Oc2ccc(C=O)cc2OC)c(OC)c1
InChIInChI=1S/C20H20O6/c1-4-5-14-6-8-16(18(10-14)23-2)25-13-20(22)26-17-9-7-15(12-21)11-19(17)24-3/h4,6-12H,1,5,13H2,2-3H3
InChIKeyKCUFDLSXRGPORF-UHFFFAOYSA-N
XLogP3.23
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate
CID 162516171
propyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate
CID 162516151
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
CID 137496757
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
(2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 142294967
bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate
CID 67377849
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
(4-formyl-2-methoxyphenyl) 2-(4-chlorophenoxy)acetate
CID 39199766
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804098
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421

Frequently Asked Questions

What is the IUPAC name of (4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
The IUPAC name of (4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate (CID 174832447) is (4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate.
What is the SMILES notation for (4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
The canonical SMILES for (4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate is C=CCc1ccc(OCC(=O)Oc2ccc(C=O)cc2OC)c(OC)c1.
What is the InChIKey of (4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
The InChIKey is KCUFDLSXRGPORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6/c1-4-5-14-6-8-16(18(10-14)23-2)25-13-20(22)26-17-9-7-15(12-21)11-19(17)24-3/h4,6-12H,1,5,13H2,2-3H3.
What are the key properties of (4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate has a molecular weight of 356.37 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate is sourced from PubChem (CID 174832447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).