3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one

C15H18O5 — CID 10612614

IUPAC3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one
SMILESCOc1ccc(C(=O)CC2CC(C)OC2=O)c(OC)c1
InChIInChI=1S/C15H18O5/c1-9-6-10(15(17)20-9)7-13(16)12-5-4-11(18-2)8-14(12)19-3/h4-5,8-10H,6-7H2,1-3H3
InChIKeyCQEGFYWKKSDLMZ-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.23
Rot. Bonds5

About 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one

3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one (PubChem CID 10612614) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one
PubChem CID10612614
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one
SMILESCOc1ccc(C(=O)CC2CC(C)OC2=O)c(OC)c1
InChIInChI=1S/C15H18O5/c1-9-6-10(15(17)20-9)7-13(16)12-5-4-11(18-2)8-14(12)19-3/h4-5,8-10H,6-7H2,1-3H3
InChIKeyCQEGFYWKKSDLMZ-UHFFFAOYSA-N
XLogP2.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one?
The IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one (CID 10612614) is 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one.
What is the SMILES notation for 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one?
The canonical SMILES for 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one is COc1ccc(C(=O)CC2CC(C)OC2=O)c(OC)c1.
What is the InChIKey of 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one?
The InChIKey is CQEGFYWKKSDLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-9-6-10(15(17)20-9)7-13(16)12-5-4-11(18-2)8-14(12)19-3/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one?
3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one has a molecular weight of 278.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one is sourced from PubChem (CID 10612614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).