[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate

C19H20O6 — CID 71587797

IUPAC[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate
SMILESCCOC(=O)OC(C(=O)c1ccccc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H20O6/c1-4-24-19(21)25-18(17(20)13-8-6-5-7-9-13)14-10-15(22-2)12-16(11-14)23-3/h5-12,18H,4H2,1-3H3
InChIKeyPLQLENYNNIFMNL-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.80
Rot. Bonds7

About [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate

[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate (PubChem CID 71587797) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate.

Molecular Properties

Compound Name[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate
PubChem CID71587797
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate
SMILESCCOC(=O)OC(C(=O)c1ccccc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H20O6/c1-4-24-19(21)25-18(17(20)13-8-6-5-7-9-13)14-10-15(22-2)12-16(11-14)23-3/h5-12,18H,4H2,1-3H3
InChIKeyPLQLENYNNIFMNL-UHFFFAOYSA-N
XLogP3.80
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate?
The IUPAC name of [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate (CID 71587797) is [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate.
What is the SMILES notation for [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate?
The canonical SMILES for [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate is CCOC(=O)OC(C(=O)c1ccccc1)c1cc(OC)cc(OC)c1.
What is the InChIKey of [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate?
The InChIKey is PLQLENYNNIFMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-4-24-19(21)25-18(17(20)13-8-6-5-7-9-13)14-10-15(22-2)12-16(11-14)23-3/h5-12,18H,4H2,1-3H3.
What are the key properties of [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate?
[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate has a molecular weight of 344.36 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate is sourced from PubChem (CID 71587797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).