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

C24H32O3 — CID 101186253

IUPACethyl (2R)-4-methyl-2-[(2S)-2-(2-methylphenyl)-2-phenylmethoxyethyl]pentanoate
SMILESCCOC(=O)C(CC(C)C)C[C@H](OCc1ccccc1)c1ccccc1C
InChIInChI=1S/C24H32O3/c1-5-26-24(25)21(15-18(2)3)16-23(22-14-10-9-11-19(22)4)27-17-20-12-7-6-8-13-20/h6-14,18,21,23H,5,15-17H2,1-4H3/t21?,23-/m0/s1
InChIKeyCKALBRNRHSZLTP-YANBTOMASA-N
MW368.52 g/mol
LogP5.87
Rot. Bonds10

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

ethyl (2R)-4-methyl-2-[(2S)-2-(2-methylphenyl)-2-phenylmethoxyethyl]pentanoate (PubChem CID 101186253) 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-(2-methylphenyl)-2-phenylmethoxyethyl]pentanoate.

Molecular Properties

Compound Nameethyl (2R)-4-methyl-2-[(2S)-2-(2-methylphenyl)-2-phenylmethoxyethyl]pentanoate
PubChem CID101186253
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Nameethyl (2R)-4-methyl-2-[(2S)-2-(2-methylphenyl)-2-phenylmethoxyethyl]pentanoate
SMILESCCOC(=O)C(CC(C)C)C[C@H](OCc1ccccc1)c1ccccc1C
InChIInChI=1S/C24H32O3/c1-5-26-24(25)21(15-18(2)3)16-23(22-14-10-9-11-19(22)4)27-17-20-12-7-6-8-13-20/h6-14,18,21,23H,5,15-17H2,1-4H3/t21?,23-/m0/s1
InChIKeyCKALBRNRHSZLTP-YANBTOMASA-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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Related Compounds

ethyl (2R)-4-methyl-2-[(2S)-2-(3-methylphenyl)-2-phenylmethoxyethyl]pentanoate
CID 101186252
ethyl (2S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropyl)-5-phenyl-4-phenylmethoxypentanoate
CID 101186285
(3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid
CID 22874407
diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate
CID 173467023
(2S)-4-methyl-2-phenylmethoxypentanamide
CID 141033880
ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate
CID 10402138
3-ethoxy-2-(2-methylphenyl)-3-oxopropanoic acid
CID 103974778
benzyl (2S)-2-bromo-2-(2-methylphenyl)acetate
CID 101158906
benzyl 2-bromo-2-(2-methylphenyl)acetate
CID 23250619
2-methylpropyl 3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 170096210
4-methyl-2-[(2-phenylmethoxypropanoylamino)methyl]pentanoic acid
CID 119252750
benzyl (2S)-2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-4-methylpentanoate
CID 18597312

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-methyl-2-[(2S)-2-(2-methylphenyl)-2-phenylmethoxyethyl]pentanoate?
The IUPAC name of ethyl (2R)-4-methyl-2-[(2S)-2-(2-methylphenyl)-2-phenylmethoxyethyl]pentanoate (CID 101186253) is ethyl (2R)-4-methyl-2-[(2S)-2-(2-methylphenyl)-2-phenylmethoxyethyl]pentanoate.
What is the SMILES notation for ethyl (2R)-4-methyl-2-[(2S)-2-(2-methylphenyl)-2-phenylmethoxyethyl]pentanoate?
The canonical SMILES for ethyl (2R)-4-methyl-2-[(2S)-2-(2-methylphenyl)-2-phenylmethoxyethyl]pentanoate is CCOC(=O)C(CC(C)C)C[C@H](OCc1ccccc1)c1ccccc1C.
What is the InChIKey of ethyl (2R)-4-methyl-2-[(2S)-2-(2-methylphenyl)-2-phenylmethoxyethyl]pentanoate?
The InChIKey is CKALBRNRHSZLTP-YANBTOMASA-N. The full InChI is InChI=1S/C24H32O3/c1-5-26-24(25)21(15-18(2)3)16-23(22-14-10-9-11-19(22)4)27-17-20-12-7-6-8-13-20/h6-14,18,21,23H,5,15-17H2,1-4H3/t21?,23-/m0/s1.
What are the key properties of ethyl (2R)-4-methyl-2-[(2S)-2-(2-methylphenyl)-2-phenylmethoxyethyl]pentanoate?
ethyl (2R)-4-methyl-2-[(2S)-2-(2-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-(2-methylphenyl)-2-phenylmethoxyethyl]pentanoate is sourced from PubChem (CID 101186253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).