ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate

C13H18O4 — CID 102317664

IUPACethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
SMILESCCOC(=O)[C@H](O)CCc1ccc(OC)cc1
InChIInChI=1S/C13H18O4/c1-3-17-13(15)12(14)9-6-10-4-7-11(16-2)8-5-10/h4-5,7-8,12,14H,3,6,9H2,1-2H3/t12-/m1/s1
InChIKeyRIWWTJAMOULOQG-GFCCVEGCSA-N
MW238.28 g/mol
LogP1.55
Rot. Bonds6

About ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate

ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate (PubChem CID 102317664) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
PubChem CID102317664
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Nameethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
SMILESCCOC(=O)[C@H](O)CCc1ccc(OC)cc1
InChIInChI=1S/C13H18O4/c1-3-17-13(15)12(14)9-6-10-4-7-11(16-2)8-5-10/h4-5,7-8,12,14H,3,6,9H2,1-2H3/t12-/m1/s1
InChIKeyRIWWTJAMOULOQG-GFCCVEGCSA-N
XLogP1.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate
CID 66289830
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybutanoate
CID 101370684
ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 10015086
ethyl 2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butanoate
CID 21224421
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate
CID 159573119
ethyl 4-(4-methoxyphenyl)-2-(4-methylbenzoyl)butanoate
CID 118440277
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl 2-bromo-3-(4-methoxyphenyl)propanoate
CID 4737532
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate?
The IUPAC name of ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate (CID 102317664) is ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate?
The canonical SMILES for ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate is CCOC(=O)[C@H](O)CCc1ccc(OC)cc1.
What is the InChIKey of ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate?
The InChIKey is RIWWTJAMOULOQG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-17-13(15)12(14)9-6-10-4-7-11(16-2)8-5-10/h4-5,7-8,12,14H,3,6,9H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate?
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate has a molecular weight of 238.28 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate is sourced from PubChem (CID 102317664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).