(2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate

C14H14O3S — CID 174712289

IUPAC(2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate
SMILESCC(=O)OCC(O)(c1ccccc1)c1ccsc1
InChIInChI=1S/C14H14O3S/c1-11(15)17-10-14(16,13-7-8-18-9-13)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyWYAIZESEFZOGBQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.55
Rot. Bonds4

About (2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate

(2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate (PubChem CID 174712289) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is (2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate.

Molecular Properties

Compound Name(2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate
PubChem CID174712289
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name(2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate
SMILESCC(=O)OCC(O)(c1ccccc1)c1ccsc1
InChIInChI=1S/C14H14O3S/c1-11(15)17-10-14(16,13-7-8-18-9-13)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyWYAIZESEFZOGBQ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-1-thiophen-3-ylpropan-1-amine
CID 65100038
aluminum;(2-methyl-2-phenylpropyl) acetate;trichloride
CID 68741763
N-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide
CID 10423965
[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate
CID 141073730
[(E,2R)-2-hydroxy-2-phenylhex-4-enyl] acetate
CID 10933409
3-thiophen-3-ylpentan-3-ol
CID 65099780
(2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide
CID 124875908
3-[methoxy(diphenyl)methyl]thiophene
CID 21049807
3-[[3-hydroxy-3,3-di(thiophen-3-yl)propyl]amino]-1,1-di(thiophen-3-yl)propan-1-ol
CID 110182532
2,2,2-trifluoro-1-phenyl-1-thiophen-3-ylethanol
CID 10611204
[(2R)-3-hydroxy-2-phenyl-2-phenylmethoxypropyl] acetate
CID 102413965
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate?
The IUPAC name of (2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate (CID 174712289) is (2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate.
What is the SMILES notation for (2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate?
The canonical SMILES for (2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate is CC(=O)OCC(O)(c1ccccc1)c1ccsc1.
What is the InChIKey of (2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate?
The InChIKey is WYAIZESEFZOGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-11(15)17-10-14(16,13-7-8-18-9-13)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3.
What are the key properties of (2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate?
(2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate has a molecular weight of 262.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate is sourced from PubChem (CID 174712289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).