(4-thiophen-2-ylphenyl) acetate

C12H10O2S — CID 18387761

IUPAC(4-thiophen-2-ylphenyl) acetate
SMILESCC(=O)Oc1ccc(-c2cccs2)cc1
InChIInChI=1S/C12H10O2S/c1-9(13)14-11-6-4-10(5-7-11)12-3-2-8-15-12/h2-8H,1H3
InChIKeyHHXWSQVTWRJNLM-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.34
Rot. Bonds2

About (4-thiophen-2-ylphenyl) acetate

(4-thiophen-2-ylphenyl) acetate (PubChem CID 18387761) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is (4-thiophen-2-ylphenyl) acetate.

Molecular Properties

Compound Name(4-thiophen-2-ylphenyl) acetate
PubChem CID18387761
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name(4-thiophen-2-ylphenyl) acetate
SMILESCC(=O)Oc1ccc(-c2cccs2)cc1
InChIInChI=1S/C12H10O2S/c1-9(13)14-11-6-4-10(5-7-11)12-3-2-8-15-12/h2-8H,1H3
InChIKeyHHXWSQVTWRJNLM-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-4-thiophen-2-ylphenyl) acetate
CID 174371049
2-(4-propan-2-yloxyphenyl)thiophene
CID 18387785
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 18281532
(3-thiophen-2-ylthiophen-2-yl) acetate
CID 174391854
[3-[amino-(3-thiophen-2-ylphenyl)carbamoyl]phenyl] acetate
CID 69100601
[4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate
CID 1177176
thiophen-2-yl acetate
CID 23617313
4-thiophen-2-ylbenzoyl chloride
CID 158319353
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
(4-methylphenyl) acetate;zinc
CID 159589232
4-thiophen-2-ylbenzamide;hydrochloride
CID 175969827
4-(4-thiophen-2-ylphenoxy)aniline
CID 16768553

Frequently Asked Questions

What is the IUPAC name of (4-thiophen-2-ylphenyl) acetate?
The IUPAC name of (4-thiophen-2-ylphenyl) acetate (CID 18387761) is (4-thiophen-2-ylphenyl) acetate.
What is the SMILES notation for (4-thiophen-2-ylphenyl) acetate?
The canonical SMILES for (4-thiophen-2-ylphenyl) acetate is CC(=O)Oc1ccc(-c2cccs2)cc1.
What is the InChIKey of (4-thiophen-2-ylphenyl) acetate?
The InChIKey is HHXWSQVTWRJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-9(13)14-11-6-4-10(5-7-11)12-3-2-8-15-12/h2-8H,1H3.
What are the key properties of (4-thiophen-2-ylphenyl) acetate?
(4-thiophen-2-ylphenyl) acetate has a molecular weight of 218.28 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-thiophen-2-ylphenyl) acetate is sourced from PubChem (CID 18387761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).