ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate

C14H14O3S — CID 53349061

IUPACethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate
SMILESCCOC(=O)[C@@H](O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C14H14O3S/c1-2-17-14(16)13(15)12-9-8-11(18-12)10-6-4-3-5-7-10/h3-9,13,15H,2H2,1H3/t13-/m0/s1
InChIKeyXWRJHKSGMFZVNP-ZDUSSCGKSA-N
MW262.33 g/mol
LogP3.01
Rot. Bonds4

About ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate

ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate (PubChem CID 53349061) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate
PubChem CID53349061
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Nameethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate
SMILESCCOC(=O)[C@@H](O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C14H14O3S/c1-2-17-14(16)13(15)12-9-8-11(18-12)10-6-4-3-5-7-10/h3-9,13,15H,2H2,1H3/t13-/m0/s1
InChIKeyXWRJHKSGMFZVNP-ZDUSSCGKSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate?
The IUPAC name of ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate (CID 53349061) is ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate?
The canonical SMILES for ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate is CCOC(=O)[C@@H](O)c1ccc(-c2ccccc2)s1.
What is the InChIKey of ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate?
The InChIKey is XWRJHKSGMFZVNP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14O3S/c1-2-17-14(16)13(15)12-9-8-11(18-12)10-6-4-3-5-7-10/h3-9,13,15H,2H2,1H3/t13-/m0/s1.
What are the key properties of ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate?
ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate has a molecular weight of 262.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-2-(5-phenylthiophen-2-yl)acetate is sourced from PubChem (CID 53349061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).