[2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate

C19H20O5 — CID 2146249

IUPAC[2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H20O5/c1-22-16-9-6-14(7-10-16)8-11-19(21)24-13-18(20)15-4-3-5-17(12-15)23-2/h3-7,9-10,12H,8,11,13H2,1-2H3
InChIKeyGXDOXKZNLKRCSZ-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.06
Rot. Bonds8

About [2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate

[2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate (PubChem CID 2146249) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
PubChem CID2146249
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name[2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H20O5/c1-22-16-9-6-14(7-10-16)8-11-19(21)24-13-18(20)15-4-3-5-17(12-15)23-2/h3-7,9-10,12H,8,11,13H2,1-2H3
InChIKeyGXDOXKZNLKRCSZ-UHFFFAOYSA-N
XLogP3.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate (CID 2146249) is [2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for [2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for [2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OCC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of [2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The InChIKey is GXDOXKZNLKRCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-22-16-9-6-14(7-10-16)8-11-19(21)24-13-18(20)15-4-3-5-17(12-15)23-2/h3-7,9-10,12H,8,11,13H2,1-2H3.
What are the key properties of [2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
[2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate has a molecular weight of 328.36 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 2146249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).