2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate

C18H28O4 — CID 66702251

IUPAC2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate
SMILESCCCCC(CC)COC(=O)C(CO)c1ccc(OC)cc1
InChIInChI=1S/C18H28O4/c1-4-6-7-14(5-2)13-22-18(20)17(12-19)15-8-10-16(21-3)11-9-15/h8-11,14,17,19H,4-7,12-13H2,1-3H3
InChIKeyZTDQROXSBIBKAS-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.53
Rot. Bonds10

About 2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate

2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate (PubChem CID 66702251) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate
PubChem CID66702251
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate
SMILESCCCCC(CC)COC(=O)C(CO)c1ccc(OC)cc1
InChIInChI=1S/C18H28O4/c1-4-6-7-14(5-2)13-22-18(20)17(12-19)15-8-10-16(21-3)11-9-15/h8-11,14,17,19H,4-7,12-13H2,1-3H3
InChIKeyZTDQROXSBIBKAS-UHFFFAOYSA-N
XLogP3.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-ethylhexyl) 2-(4-methoxyphenyl)propanedioate
CID 57424016
2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate
CID 163607999
2-(4-methoxyphenyl)hexanoate
CID 19815864
bis(2-ethylhexyl) 2-hydroxy-3-[(4-methoxyphenyl)methylidene]butanedioate
CID 69230800
2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate
CID 66702132
2-ethylhexyl 2-cyano-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 66661267
[(2R)-2-ethylhexyl] 2-[4-[1-[4-[2-[(2S)-2-ethylhexoxy]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetate
CID 98575425
bis(2-ethylhexyl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2-methylbutyl) 2-[(4-methoxyphenyl)methylidene]propanedioate
CID 160963893
bis(2-ethylhexyl) benzene-1,4-dicarboxylate;2-methylpropan-1-ol
CID 157421675
2-ethylhexyl 2-(diethoxymethyl)-2,3-dihydroxy-3,3-bis(4-methoxyphenyl)propanoate
CID 88978991
ethyl (2S)-3-acetyloxy-2-(4-methoxyphenyl)propanoate
CID 11346142
4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol
CID 66058427

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate?
The IUPAC name of 2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate (CID 66702251) is 2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate.
What is the SMILES notation for 2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate?
The canonical SMILES for 2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate is CCCCC(CC)COC(=O)C(CO)c1ccc(OC)cc1.
What is the InChIKey of 2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate?
The InChIKey is ZTDQROXSBIBKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-4-6-7-14(5-2)13-22-18(20)17(12-19)15-8-10-16(21-3)11-9-15/h8-11,14,17,19H,4-7,12-13H2,1-3H3.
What are the key properties of 2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate?
2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate has a molecular weight of 308.42 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 66702251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).