ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate

C15H16O3S — CID 129383270

IUPACethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate
SMILESCCOC(=O)C[C@@H](c1ccc(O)cc1)c1cccs1
InChIInChI=1S/C15H16O3S/c1-2-18-15(17)10-13(14-4-3-9-19-14)11-5-7-12(16)8-6-11/h3-9,13,16H,2,10H2,1H3/t13-/m0/s1
InChIKeyHGYUNJLJXGJOFR-ZDUSSCGKSA-N
MW276.36 g/mol
LogP3.54
Rot. Bonds5

About ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate

ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate (PubChem CID 129383270) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Nameethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate
PubChem CID129383270
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Nameethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate
SMILESCCOC(=O)C[C@@H](c1ccc(O)cc1)c1cccs1
InChIInChI=1S/C15H16O3S/c1-2-18-15(17)10-13(14-4-3-9-19-14)11-5-7-12(16)8-6-11/h3-9,13,16H,2,10H2,1H3/t13-/m0/s1
InChIKeyHGYUNJLJXGJOFR-ZDUSSCGKSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate
CID 59132728
ethyl 4,4-bis(4-hydroxyphenyl)-3-methylbutanoate
CID 70442287
ethyl 3,4-dihydroxy-4-(4-hydroxyphenyl)butanoate
CID 171896820
ethyl (3S)-3-(4-hydroxyphenyl)-3-methoxypropanoate
CID 129379354
ethyl 3-(4-hydroxyphenyl)-3-(1-methylpyrazol-3-yl)propanoate
CID 59132644
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
ethyl 6-amino-6-thiophen-2-ylhexanoate
CID 60862649
lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide
CID 162165413
1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one
CID 23824722
ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-2-ylpropanoate
CID 170817121
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
3-ethoxy-2-(4-hydroxyphenyl)-3-oxopropanoic acid
CID 140981315

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate?
The IUPAC name of ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate (CID 129383270) is ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate.
What is the SMILES notation for ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate?
The canonical SMILES for ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate is CCOC(=O)C[C@@H](c1ccc(O)cc1)c1cccs1.
What is the InChIKey of ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate?
The InChIKey is HGYUNJLJXGJOFR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16O3S/c1-2-18-15(17)10-13(14-4-3-9-19-14)11-5-7-12(16)8-6-11/h3-9,13,16H,2,10H2,1H3/t13-/m0/s1.
What are the key properties of ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate?
ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate has a molecular weight of 276.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 129383270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).