5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate

C16H22O5 — CID 11716297

IUPAC5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate
SMILESCCOC(=O)C[C@@](O)(c1ccccc1)[C@H](CC)C(=O)OC
InChIInChI=1S/C16H22O5/c1-4-13(15(18)20-3)16(19,11-14(17)21-5-2)12-9-7-6-8-10-12/h6-10,13,19H,4-5,11H2,1-3H3/t13-,16-/m1/s1
InChIKeyWTMKCOYHDVOCCE-CZUORRHYSA-N
MW294.35 g/mol
LogP2.03
Rot. Bonds7

About 5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate

5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate (PubChem CID 11716297) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate.

Molecular Properties

Compound Name5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate
PubChem CID11716297
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate
SMILESCCOC(=O)C[C@@](O)(c1ccccc1)[C@H](CC)C(=O)OC
InChIInChI=1S/C16H22O5/c1-4-13(15(18)20-3)16(19,11-14(17)21-5-2)12-9-7-6-8-10-12/h6-10,13,19H,4-5,11H2,1-3H3/t13-,16-/m1/s1
InChIKeyWTMKCOYHDVOCCE-CZUORRHYSA-N
XLogP2.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate 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

methyl 2-ethyl-3-hydroxy-3-phenylpentanoate
CID 62394588
methyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate
CID 62394570
methyl 2-(cyclopropyl-hydroxy-phenylmethyl)butanoate
CID 62395110
ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
CID 124644619
ethyl 3-hydroxy-3-phenylhex-4-enoate
CID 66650446
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
ethyl 3-(2-bromophenyl)-3-hydroxy-3-phenylpropanoate
CID 102412333
ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate
CID 65233940
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
ethyl 3-hydroxy-4-methoxy-3-phenyl-2-propan-2-ylbutanoate
CID 103465940
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
CID 12565684
(4-hydroxy-4-phenylhexan-3-yl)carbamic acid
CID 20975817

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate?
The IUPAC name of 5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate (CID 11716297) is 5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate.
What is the SMILES notation for 5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate?
The canonical SMILES for 5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate is CCOC(=O)C[C@@](O)(c1ccccc1)[C@H](CC)C(=O)OC.
What is the InChIKey of 5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate?
The InChIKey is WTMKCOYHDVOCCE-CZUORRHYSA-N. The full InChI is InChI=1S/C16H22O5/c1-4-13(15(18)20-3)16(19,11-14(17)21-5-2)12-9-7-6-8-10-12/h6-10,13,19H,4-5,11H2,1-3H3/t13-,16-/m1/s1.
What are the key properties of 5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate?
5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate has a molecular weight of 294.35 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate is sourced from PubChem (CID 11716297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).