ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate

C19H22O4 — CID 134955968

IUPACethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate
SMILESCCOC(=O)[C@](O)(c1ccccc1)[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C19H22O4/c1-4-23-18(20)19(21,16-8-6-5-7-9-16)14(2)15-10-12-17(22-3)13-11-15/h5-14,21H,4H2,1-3H3/t14-,19+/m0/s1
InChIKeyLOAIPBOSWFBDLI-IFXJQAMLSA-N
MW314.38 g/mol
LogP3.25
Rot. Bonds6

About ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate

ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate (PubChem CID 134955968) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate
PubChem CID134955968
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Nameethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate
SMILESCCOC(=O)[C@](O)(c1ccccc1)[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C19H22O4/c1-4-23-18(20)19(21,16-8-6-5-7-9-16)14(2)15-10-12-17(22-3)13-11-15/h5-14,21H,4H2,1-3H3/t14-,19+/m0/s1
InChIKeyLOAIPBOSWFBDLI-IFXJQAMLSA-N
XLogP3.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate
CID 121000481
ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate
CID 132569331
anisole;ethyl 2-methylpropanoate
CID 177064087
ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate
CID 71516178
ethyl 2,3-dihydroxy-2-(4-methylphenyl)butanoate
CID 141091665
ethyl (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoate
CID 171239890
[3-ethoxy-1-(4-methoxyphenyl)-3-oxo-2-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 10794581
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
diethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-(2-oxopropyl)butanedioate
CID 102075376
ethyl 3,3-bis[(4-methoxyphenyl)sulfanyl]-3-phenylpropanoate
CID 14593774
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate?
The IUPAC name of ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate (CID 134955968) is ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate.
What is the SMILES notation for ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate?
The canonical SMILES for ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate is CCOC(=O)[C@](O)(c1ccccc1)[C@@H](C)c1ccc(OC)cc1.
What is the InChIKey of ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate?
The InChIKey is LOAIPBOSWFBDLI-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-23-18(20)19(21,16-8-6-5-7-9-16)14(2)15-10-12-17(22-3)13-11-15/h5-14,21H,4H2,1-3H3/t14-,19+/m0/s1.
What are the key properties of ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate?
ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate has a molecular weight of 314.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate is sourced from PubChem (CID 134955968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).