(2-hydroxyphenyl) 2-thiophen-2-ylacetate

C12H10O3S — CID 91700994

IUPAC(2-hydroxyphenyl) 2-thiophen-2-ylacetate
SMILESO=C(Cc1cccs1)Oc1ccccc1O
InChIInChI=1S/C12H10O3S/c13-10-5-1-2-6-11(10)15-12(14)8-9-4-3-7-16-9/h1-7,13H,8H2
InChIKeyHMFBSALEQUDYJS-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.60
Rot. Bonds3

About (2-hydroxyphenyl) 2-thiophen-2-ylacetate

(2-hydroxyphenyl) 2-thiophen-2-ylacetate (PubChem CID 91700994) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is (2-hydroxyphenyl) 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name(2-hydroxyphenyl) 2-thiophen-2-ylacetate
PubChem CID91700994
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name(2-hydroxyphenyl) 2-thiophen-2-ylacetate
SMILESO=C(Cc1cccs1)Oc1ccccc1O
InChIInChI=1S/C12H10O3S/c13-10-5-1-2-6-11(10)15-12(14)8-9-4-3-7-16-9/h1-7,13H,8H2
InChIKeyHMFBSALEQUDYJS-UHFFFAOYSA-N
XLogP2.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxyphenyl) 2-phenylacetate
CID 91699546
(2-hydroxyphenyl) 2-hydroxyacetate
CID 54356800
(2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 110670963
(3-methylphenyl) 2-thiophen-2-ylacetate
CID 532771
2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol
CID 117246123
ethyl 2-(thionin-2-yl)acetate
CID 174897632
(2-fluorophenyl) 4-thiophen-2-ylbutanoate
CID 78777100
(2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate
CID 39199725
(2-hydroxyphenyl) 4-chlorobutanoate
CID 69126445
2-ethylsulfonylethyl 2-thiophen-2-ylacetate
CID 142757296
decyl 2-thiophen-2-ylacetate
CID 566129
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) 2-thiophen-2-ylacetate?
The IUPAC name of (2-hydroxyphenyl) 2-thiophen-2-ylacetate (CID 91700994) is (2-hydroxyphenyl) 2-thiophen-2-ylacetate.
What is the SMILES notation for (2-hydroxyphenyl) 2-thiophen-2-ylacetate?
The canonical SMILES for (2-hydroxyphenyl) 2-thiophen-2-ylacetate is O=C(Cc1cccs1)Oc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl) 2-thiophen-2-ylacetate?
The InChIKey is HMFBSALEQUDYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c13-10-5-1-2-6-11(10)15-12(14)8-9-4-3-7-16-9/h1-7,13H,8H2.
What are the key properties of (2-hydroxyphenyl) 2-thiophen-2-ylacetate?
(2-hydroxyphenyl) 2-thiophen-2-ylacetate has a molecular weight of 234.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) 2-thiophen-2-ylacetate is sourced from PubChem (CID 91700994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).