ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate

C13H18O4 — CID 45101649

IUPACethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)[C@H](Cc1ccc(OC)cc1)OC
InChIInChI=1S/C13H18O4/c1-4-17-13(14)12(16-3)9-10-5-7-11(15-2)8-6-10/h5-8,12H,4,9H2,1-3H3/t12-/m0/s1
InChIKeyHGQHIFJYCRXDHZ-LBPRGKRZSA-N
MW238.28 g/mol
LogP1.82
Rot. Bonds6

About ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate

ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate (PubChem CID 45101649) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate
PubChem CID45101649
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Nameethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)[C@H](Cc1ccc(OC)cc1)OC
InChIInChI=1S/C13H18O4/c1-4-17-13(14)12(16-3)9-10-5-7-11(15-2)8-6-10/h5-8,12H,4,9H2,1-3H3/t12-/m0/s1
InChIKeyHGQHIFJYCRXDHZ-LBPRGKRZSA-N
XLogP1.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
ethyl 2-bromo-3-(4-methoxyphenyl)propanoate
CID 4737532
ethyl 2-[(4-methoxyphenyl)methoxy]butanoate
CID 64663670
ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate
CID 19886522
ethyl 2-methoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoate
CID 69422526
ethyl (2S)-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanoate
CID 71001645
ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate
CID 69423378
2-ethoxy-3-(4-methoxyphenyl)propanoic acid
CID 11183680
ethyl (2S)-3-[4-[3-[4-(2,4-dimethoxybenzoyl)phenoxy]propoxy]phenyl]-2-methoxypropanoate
CID 58823037
diethyl 2-[2-bromo-3-(4-methoxyphenyl)propyl]propanedioate
CID 132573295
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl 3-[4-(3-fluoren-9-ylidenepropoxy)phenyl]-2-methoxypropanoate
CID 23445795

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate (CID 45101649) is ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate is CCOC(=O)[C@H](Cc1ccc(OC)cc1)OC.
What is the InChIKey of ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate?
The InChIKey is HGQHIFJYCRXDHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-17-13(14)12(16-3)9-10-5-7-11(15-2)8-6-10/h5-8,12H,4,9H2,1-3H3/t12-/m0/s1.
What are the key properties of ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate?
ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate has a molecular weight of 238.28 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 45101649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).