2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate

C19H30O3 — CID 163607999

IUPAC2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate
SMILESCCCCC(CC)COC(=O)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C19H30O3/c1-5-7-8-16(6-2)14-22-19(20)15(3)13-17-9-11-18(21-4)12-10-17/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyHDLGPCJZUMCJSS-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.63
Rot. Bonds10

About 2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate

2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate (PubChem CID 163607999) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate.

Molecular Properties

Compound Name2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate
PubChem CID163607999
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate
SMILESCCCCC(CC)COC(=O)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C19H30O3/c1-5-7-8-16(6-2)14-22-19(20)15(3)13-17-9-11-18(21-4)12-10-17/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyHDLGPCJZUMCJSS-UHFFFAOYSA-N
XLogP4.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate 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

bis(2-ethylhexyl) 2-(4-methoxyphenyl)propanedioate
CID 57424016
2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate
CID 66702251
2-ethylhexyl 2-methylbutanoate
CID 3023949
4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid
CID 63402034
4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol
CID 66058427
2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate
CID 66702132
2-ethylhexyl 4-ethyl-2-methyloctanoate
CID 150137070
2-ethylhexyl 2-hydroxy-3-phenylpropanoate
CID 56974943
bis(2-ethylhexyl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2-methylbutyl) 2-[(4-methoxyphenyl)methylidene]propanedioate
CID 160963893
bis(2-ethylhexyl) 2-hydroxy-3-[(4-methoxyphenyl)methylidene]butanedioate
CID 69230800
bis[(2S)-2-ethylhexyl] furan-2,5-dicarboxylate
CID 137368086
(4-methoxyphenyl) 2-methylhexanoate
CID 174280566

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate?
The IUPAC name of 2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate (CID 163607999) is 2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate.
What is the SMILES notation for 2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate?
The canonical SMILES for 2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate is CCCCC(CC)COC(=O)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of 2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate?
The InChIKey is HDLGPCJZUMCJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-5-7-8-16(6-2)14-22-19(20)15(3)13-17-9-11-18(21-4)12-10-17/h9-12,15-16H,5-8,13-14H2,1-4H3.
What are the key properties of 2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate?
2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate has a molecular weight of 306.45 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate is sourced from PubChem (CID 163607999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).