ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate

C24H32O3 — CID 101186252

IUPACethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate
SMILESCCOC(=O)C(CC(C)C)C[C@H](OCc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C24H32O3/c1-5-26-24(25)22(14-18(2)3)16-23(21-13-9-10-19(4)15-21)27-17-20-11-7-6-8-12-20/h6-13,15,18,22-23H,5,14,16-17H2,1-4H3/t22?,23-/m0/s1
InChIKeyOCGHLZYKYGVWTE-WCSIJFPASA-N
MW368.52 g/mol
LogP5.87
Rot. Bonds10

About ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate

ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate (PubChem CID 101186252) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate.

Molecular Properties

Compound Nameethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate
PubChem CID101186252
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Nameethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate
SMILESCCOC(=O)C(CC(C)C)C[C@H](OCc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C24H32O3/c1-5-26-24(25)22(14-18(2)3)16-23(21-13-9-10-19(4)15-21)27-17-20-11-7-6-8-12-20/h6-13,15,18,22-23H,5,14,16-17H2,1-4H3/t22?,23-/m0/s1
InChIKeyOCGHLZYKYGVWTE-WCSIJFPASA-N
XLogP5.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate?
The IUPAC name of ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate (CID 101186252) is ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate.
What is the SMILES notation for ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate?
The canonical SMILES for ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate is CCOC(=O)C(CC(C)C)C[C@H](OCc1ccccc1)c1cccc(C)c1.
What is the InChIKey of ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate?
The InChIKey is OCGHLZYKYGVWTE-WCSIJFPASA-N. The full InChI is InChI=1S/C24H32O3/c1-5-26-24(25)22(14-18(2)3)16-23(21-13-9-10-19(4)15-21)27-17-20-11-7-6-8-12-20/h6-13,15,18,22-23H,5,14,16-17H2,1-4H3/t22?,23-/m0/s1.
What are the key properties of ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate?
ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate has a molecular weight of 368.52 g/mol, XLogP of 5.87, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate is sourced from PubChem (CID 101186252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).