2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate

C20H32O5 — CID 66702132

IUPAC2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate
SMILESCCCCC(CC)COC(=O)C(C)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C20H32O5/c1-7-9-10-15(8-2)13-25-20(21)14(3)19-17(23-5)11-16(22-4)12-18(19)24-6/h11-12,14-15H,7-10,13H2,1-6H3
InChIKeyXLHQCFVDDRNMLZ-UHFFFAOYSA-N
MW352.47 g/mol
LogP4.58
Rot. Bonds11

About 2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate

2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate (PubChem CID 66702132) has the molecular formula C20H32O5 and a molecular weight of 352.47 g/mol. Its IUPAC name is 2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Name2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate
PubChem CID66702132
Molecular FormulaC20H32O5
Molecular Weight352.47 g/mol
Exact Mass352.22
IUPAC Name2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate
SMILESCCCCC(CC)COC(=O)C(C)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C20H32O5/c1-7-9-10-15(8-2)13-25-20(21)14(3)19-17(23-5)11-16(22-4)12-18(19)24-6/h11-12,14-15H,7-10,13H2,1-6H3
InChIKeyXLHQCFVDDRNMLZ-UHFFFAOYSA-N
XLogP4.58
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylhexyl 2-(3,4,5-trihydroxyphenyl)propanoate
CID 87115566
bis(2-ethylhexyl) 2-(4-methoxyphenyl)propanedioate
CID 57424016
2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate
CID 163607999
2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate
CID 66702251
2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate
CID 66702447
(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171201038
bis(2-ethylhexyl) 2-[(3,5-dimethoxyphenyl)methylidene]propanedioate
CID 69099655
2-ethylhexyl 2-methylbutanoate
CID 3023949
2-ethylhexyl 3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 91148394
(3R)-3-(2,4,6-trimethoxyphenyl)butan-2-one
CID 86312414
2-ethylhexyl 4-ethyl-2-methyloctanoate
CID 150137070
2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate?
The IUPAC name of 2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate (CID 66702132) is 2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate.
What is the SMILES notation for 2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate?
The canonical SMILES for 2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate is CCCCC(CC)COC(=O)C(C)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of 2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate?
The InChIKey is XLHQCFVDDRNMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O5/c1-7-9-10-15(8-2)13-25-20(21)14(3)19-17(23-5)11-16(22-4)12-18(19)24-6/h11-12,14-15H,7-10,13H2,1-6H3.
What are the key properties of 2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate?
2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate has a molecular weight of 352.47 g/mol, XLogP of 4.58, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate is sourced from PubChem (CID 66702132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).