2-ethylhexyl 2-hydroxy-3-phenylpropanoate

C17H26O3 — CID 56974943

IUPAC2-ethylhexyl 2-hydroxy-3-phenylpropanoate
SMILESCCCCC(CC)COC(=O)C(O)Cc1ccccc1
InChIInChI=1S/C17H26O3/c1-3-5-9-14(4-2)13-20-17(19)16(18)12-15-10-7-6-8-11-15/h6-8,10-11,14,16,18H,3-5,9,12-13H2,1-2H3
InChIKeyCNVLPHBTAVTVBG-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.35
Rot. Bonds9

About 2-ethylhexyl 2-hydroxy-3-phenylpropanoate

2-ethylhexyl 2-hydroxy-3-phenylpropanoate (PubChem CID 56974943) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-ethylhexyl 2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Name2-ethylhexyl 2-hydroxy-3-phenylpropanoate
PubChem CID56974943
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-ethylhexyl 2-hydroxy-3-phenylpropanoate
SMILESCCCCC(CC)COC(=O)C(O)Cc1ccccc1
InChIInChI=1S/C17H26O3/c1-3-5-9-14(4-2)13-20-17(19)16(18)12-15-10-7-6-8-11-15/h6-8,10-11,14,16,18H,3-5,9,12-13H2,1-2H3
InChIKeyCNVLPHBTAVTVBG-UHFFFAOYSA-N
XLogP3.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethylhexyl 2-hydroxy-3-phenylpropanoate 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-butylhexyl (2S)-2-amino-3-phenylpropanoate
CID 168741715
bis(2-ethylhexyl) 2-benzylhexanedioate
CID 140633299
benzoic acid;2-ethylhexyl 2-hydroxyoctadecanoate
CID 69493926
benzoic acid;2-ethylhexyl benzoate
CID 90214866
2-ethylbutyl (2R)-2-amino-3-phenylpropanoate
CID 114208438
10-O-(2-ethylhexyl) 1-O-(2-phenylethyl) decanedioate
CID 118967604
2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate
CID 163607999
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
[(2S)-2-ethylhexyl] 3-phenylprop-2-enoate
CID 162860672
ethanol;2-(2-ethylhexoxycarbonyl)benzoic acid
CID 175410629
bis[(2S)-2-ethylhexyl] furan-2,5-dicarboxylate
CID 137368086
2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate
CID 150485594

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-hydroxy-3-phenylpropanoate?
The IUPAC name of 2-ethylhexyl 2-hydroxy-3-phenylpropanoate (CID 56974943) is 2-ethylhexyl 2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for 2-ethylhexyl 2-hydroxy-3-phenylpropanoate?
The canonical SMILES for 2-ethylhexyl 2-hydroxy-3-phenylpropanoate is CCCCC(CC)COC(=O)C(O)Cc1ccccc1.
What is the InChIKey of 2-ethylhexyl 2-hydroxy-3-phenylpropanoate?
The InChIKey is CNVLPHBTAVTVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-3-5-9-14(4-2)13-20-17(19)16(18)12-15-10-7-6-8-11-15/h6-8,10-11,14,16,18H,3-5,9,12-13H2,1-2H3.
What are the key properties of 2-ethylhexyl 2-hydroxy-3-phenylpropanoate?
2-ethylhexyl 2-hydroxy-3-phenylpropanoate has a molecular weight of 278.39 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 56974943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).