methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate

C20H18O3S — CID 11151915

IUPACmethyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)Oc1ccc(-c2cccs2)cc1
InChIInChI=1S/C20H18O3S/c1-22-20(21)18(14-15-6-3-2-4-7-15)23-17-11-9-16(10-12-17)19-8-5-13-24-19/h2-13,18H,14H2,1H3/t18-/m0/s1
InChIKeyMLDGHZGYAZIVQW-SFHVURJKSA-N
MW338.43 g/mol
LogP4.58
Rot. Bonds6

About methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate

methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate (PubChem CID 11151915) has the molecular formula C20H18O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate
PubChem CID11151915
Molecular FormulaC20H18O3S
Molecular Weight338.43 g/mol
Exact Mass338.10
IUPAC Namemethyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)Oc1ccc(-c2cccs2)cc1
InChIInChI=1S/C20H18O3S/c1-22-20(21)18(14-15-6-3-2-4-7-15)23-17-11-9-16(10-12-17)19-8-5-13-24-19/h2-13,18H,14H2,1H3/t18-/m0/s1
InChIKeyMLDGHZGYAZIVQW-SFHVURJKSA-N
XLogP4.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-yloxyphenyl)thiophene
CID 18387785
ethyl (2S)-2-[4-(2-methoxyphenyl)phenoxy]-3-phenylpropanoate
CID 71545342
3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
ethyl 2-amino-3-(4-thiophen-2-ylphenyl)propanoate;hydrochloride
CID 174360592
2-[4-(3-methylphenyl)phenoxy]-3-phenylpropanoic acid
CID 71544681
2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide
CID 87951619
CID 59357001
CID 59357001
1-phenyl-2-(4-thiophen-2-ylphenyl)ethanamine
CID 82542180
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
(1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate
CID 139962469
(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100530411
ethyl thiophene-2-carboxylate;2-phenylthiophene
CID 173392308

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate?
The IUPAC name of methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate (CID 11151915) is methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate.
What is the SMILES notation for methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate?
The canonical SMILES for methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate is COC(=O)[C@H](Cc1ccccc1)Oc1ccc(-c2cccs2)cc1.
What is the InChIKey of methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate?
The InChIKey is MLDGHZGYAZIVQW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18O3S/c1-22-20(21)18(14-15-6-3-2-4-7-15)23-17-11-9-16(10-12-17)19-8-5-13-24-19/h2-13,18H,14H2,1H3/t18-/m0/s1.
What are the key properties of methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate?
methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate has a molecular weight of 338.43 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate is sourced from PubChem (CID 11151915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).