[2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate

C20H20O6 — CID 54499309

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate
SMILESC=CCc1ccc(OC(=O)OCC(=O)c2ccc(OC)cc2)c(OC)c1
InChIInChI=1S/C20H20O6/c1-4-5-14-6-11-18(19(12-14)24-3)26-20(22)25-13-17(21)15-7-9-16(23-2)10-8-15/h4,6-12H,1,5,13H2,2-3H3
InChIKeyYBHXCBVIYRHEHI-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.83
Rot. Bonds8

About [2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate

[2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate (PubChem CID 54499309) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate
PubChem CID54499309
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate
SMILESC=CCc1ccc(OC(=O)OCC(=O)c2ccc(OC)cc2)c(OC)c1
InChIInChI=1S/C20H20O6/c1-4-5-14-6-11-18(19(12-14)24-3)26-20(22)25-13-17(21)15-7-9-16(23-2)10-8-15/h4,6-12H,1,5,13H2,2-3H3
InChIKeyYBHXCBVIYRHEHI-UHFFFAOYSA-N
XLogP3.83
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

chloromethyl (2-methoxy-4-prop-2-enylphenyl) carbonate
CID 88995763
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421
bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
CID 93483199
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
CID 137496757
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
4-[[4,6-bis(4-carboxyphenoxy)-2,4,6-tris(2-methoxy-4-prop-2-enylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]benzoic acid
CID 166637626
iron;(2-methoxy-4-prop-2-enylphenyl) formate
CID 174941140
2-hydroxy-4-(2-methoxy-4-prop-2-enylphenoxy)-4-oxobutanoic acid
CID 67325524
(2-methoxy-4-prop-2-enylphenyl) adamantane-1-carboxylate
CID 4916755

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate (CID 54499309) is [2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate is C=CCc1ccc(OC(=O)OCC(=O)c2ccc(OC)cc2)c(OC)c1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate?
The InChIKey is YBHXCBVIYRHEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6/c1-4-5-14-6-11-18(19(12-14)24-3)26-20(22)25-13-17(21)15-7-9-16(23-2)10-8-15/h4,6-12H,1,5,13H2,2-3H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate?
[2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate has a molecular weight of 356.37 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] (2-methoxy-4-prop-2-enylphenyl) carbonate is sourced from PubChem (CID 54499309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).