ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate

C17H26O3 — CID 83051907

IUPACethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate
SMILESCCCC(O)(C(=O)OCC)C(c1ccccc1)C(C)C
InChIInChI=1S/C17H26O3/c1-5-12-17(19,16(18)20-6-2)15(13(3)4)14-10-8-7-9-11-14/h7-11,13,15,19H,5-6,12H2,1-4H3
InChIKeyGPPSINDZJPGKGN-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.52
Rot. Bonds7

About ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate

ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate (PubChem CID 83051907) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate
PubChem CID83051907
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Nameethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate
SMILESCCCC(O)(C(=O)OCC)C(c1ccccc1)C(C)C
InChIInChI=1S/C17H26O3/c1-5-12-17(19,16(18)20-6-2)15(13(3)4)14-10-8-7-9-11-14/h7-11,13,15,19H,5-6,12H2,1-4H3
InChIKeyGPPSINDZJPGKGN-UHFFFAOYSA-N
XLogP3.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(3,4-dimethylphenyl)ethyl]-2-hydroxypentanoate
CID 83050862
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl (2S)-3,3-dimethyl-2-phenylbutanoate
CID 66805498
ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate
CID 79298581
ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate
CID 83051484
ethyl (2S,3S)-2-bromo-2-fluoro-3-hydroxy-3-phenylpropanoate
CID 101158378
diethyl 3-benzyl-2-hydroxy-2-(2-phenylethyl)butanedioate
CID 66648766
3-ethoxy-3-oxo-2-phenylpropanoic acid;hydrochloride
CID 70417854
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
3-O-tert-butyl 1-O,1-O-diethyl (2S,3S)-1-fluoro-2-phenylbutane-1,1,3-tricarboxylate
CID 102488380
ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate
CID 103952035
ethyl 2-hydroxy-2-phenylacetate
CID 90673198

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate?
The IUPAC name of ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate (CID 83051907) is ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate.
What is the SMILES notation for ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate?
The canonical SMILES for ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate is CCCC(O)(C(=O)OCC)C(c1ccccc1)C(C)C.
What is the InChIKey of ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate?
The InChIKey is GPPSINDZJPGKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-5-12-17(19,16(18)20-6-2)15(13(3)4)14-10-8-7-9-11-14/h7-11,13,15,19H,5-6,12H2,1-4H3.
What are the key properties of ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate?
ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate has a molecular weight of 278.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate is sourced from PubChem (CID 83051907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).