ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate

C21H20O3S — CID 53349062

IUPACethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate
SMILESCCOC(=O)[C@@H](O)c1ccc(C(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C21H20O3S/c1-2-24-21(23)20(22)18-14-13-17(25-18)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19-20,22H,2H2,1H3/t20-/m0/s1
InChIKeyOSNFCPMKIUCLQK-FQEVSTJZSA-N
MW352.46 g/mol
LogP4.52
Rot. Bonds6

About ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate

ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate (PubChem CID 53349062) has the molecular formula C21H20O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate
PubChem CID53349062
Molecular FormulaC21H20O3S
Molecular Weight352.46 g/mol
Exact Mass352.11
IUPAC Nameethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate
SMILESCCOC(=O)[C@@H](O)c1ccc(C(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C21H20O3S/c1-2-24-21(23)20(22)18-14-13-17(25-18)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19-20,22H,2H2,1H3/t20-/m0/s1
InChIKeyOSNFCPMKIUCLQK-FQEVSTJZSA-N
XLogP4.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate
CID 53349061
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl 4-amino-2-hydroxy-4-phenylbutanoate
CID 141301559
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
5-benzhydrylthiophene-2-carboxylic acid
CID 59775040
ethyl 2-amino-2-phenylacetate chloride
CID 3083657

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate?
The IUPAC name of ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate (CID 53349062) is ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate is CCOC(=O)[C@@H](O)c1ccc(C(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate?
The InChIKey is OSNFCPMKIUCLQK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20O3S/c1-2-24-21(23)20(22)18-14-13-17(25-18)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19-20,22H,2H2,1H3/t20-/m0/s1.
What are the key properties of ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate?
ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate has a molecular weight of 352.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(5-benzhydrylthiophen-2-yl)-2-hydroxyacetate is sourced from PubChem (CID 53349062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).