ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate

C24H24O4 — CID 71545342

IUPACethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C24H24O4/c1-3-27-24(25)23(17-18-9-5-4-6-10-18)28-20-15-13-19(14-16-20)21-11-7-8-12-22(21)26-2/h4-16,23H,3,17H2,1-2H3/t23-/m0/s1
InChIKeyCFESWTFEDDNGBA-QHCPKHFHSA-N
MW376.45 g/mol
LogP4.92
Rot. Bonds8

About ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate

ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate (PubChem CID 71545342) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate
PubChem CID71545342
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Nameethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2OC)cc1
InChIInChI=1S/C24H24O4/c1-3-27-24(25)23(17-18-9-5-4-6-10-18)28-20-15-13-19(14-16-20)21-11-7-8-12-22(21)26-2/h4-16,23H,3,17H2,1-2H3/t23-/m0/s1
InChIKeyCFESWTFEDDNGBA-QHCPKHFHSA-N
XLogP4.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-ethoxyphenoxy)-3-(4-methoxyphenyl)propanoate
CID 19886522
ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate
CID 139910489
ethyl (2S)-2-(4-bromo-3-methylphenoxy)-3-phenylpropanoate
CID 71545011
ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate
CID 18626029
3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 70029206
ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate
CID 18625711
ethyl 2-(4-tert-butylphenoxy)-3-(4-phenylmethoxyphenyl)propanoate
CID 18625918
ethyl 2-(4-phenylphenoxy)heptanoate
CID 154127822
3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
ethyl (2S)-2-(4-bromophenoxy)-4-phenylbutanoate
CID 67031076
4-[[(4S)-5-ethoxy-1-[4-(2-methoxyphenyl)phenyl]-4-methyl-5-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 68753820
ethyl (2R)-2-[4-[1-[2-(4-bromophenyl)ethyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoate
CID 86588891

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate?
The IUPAC name of ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate (CID 71545342) is ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate.
What is the SMILES notation for ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate?
The canonical SMILES for ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate is CCOC(=O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2OC)cc1.
What is the InChIKey of ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate?
The InChIKey is CFESWTFEDDNGBA-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24O4/c1-3-27-24(25)23(17-18-9-5-4-6-10-18)28-20-15-13-19(14-16-20)21-11-7-8-12-22(21)26-2/h4-16,23H,3,17H2,1-2H3/t23-/m0/s1.
What are the key properties of ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate?
ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate has a molecular weight of 376.45 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate is sourced from PubChem (CID 71545342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).