(3-hydroxyphenyl) thiophene-2-carboxylate

C11H8O3S — CID 91704925

IUPAC(3-hydroxyphenyl) thiophene-2-carboxylate
SMILESO=C(Oc1cccc(O)c1)c1cccs1
InChIInChI=1S/C11H8O3S/c12-8-3-1-4-9(7-8)14-11(13)10-5-2-6-15-10/h1-7,12H
InChIKeySYRWHRSHKVRKRC-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.67
Rot. Bonds2

About (3-hydroxyphenyl) thiophene-2-carboxylate

(3-hydroxyphenyl) thiophene-2-carboxylate (PubChem CID 91704925) has the molecular formula C11H8O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is (3-hydroxyphenyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(3-hydroxyphenyl) thiophene-2-carboxylate
PubChem CID91704925
Molecular FormulaC11H8O3S
Molecular Weight220.25 g/mol
Exact Mass220.02
IUPAC Name(3-hydroxyphenyl) thiophene-2-carboxylate
SMILESO=C(Oc1cccc(O)c1)c1cccs1
InChIInChI=1S/C11H8O3S/c12-8-3-1-4-9(7-8)14-11(13)10-5-2-6-15-10/h1-7,12H
InChIKeySYRWHRSHKVRKRC-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.67
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

[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
(3-ethynylphenyl) thiophene-2-carboxylate
CID 91802014
(4-chloro-3,5-dimethylphenyl) thiophene-2-carboxylate
CID 718567
(4-fluorophenyl) thiophene-2-carboxylate
CID 573740
phenyl thiophene-2-carboperoxoate
CID 91186228
(3-methyl-4-propan-2-ylphenyl) thiophene-2-carboxylate
CID 881438
CID 172994739
CID 172994739
(2,6-dimethylphenyl) thiophene-2-carboxylate
CID 23010851
3-thiophen-2-yloxyphenol
CID 87844697
(3-hydroxyphenyl) 2-oxoacetate
CID 174444543
[3-[(1S,2S,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]phenyl] thiophene-2-carboxylate
CID 124723957
bis(3-hydroxyphenyl) decanedioate;bis(3-hydroxyphenyl) hexanedioate
CID 66808075

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl) thiophene-2-carboxylate?
The IUPAC name of (3-hydroxyphenyl) thiophene-2-carboxylate (CID 91704925) is (3-hydroxyphenyl) thiophene-2-carboxylate.
What is the SMILES notation for (3-hydroxyphenyl) thiophene-2-carboxylate?
The canonical SMILES for (3-hydroxyphenyl) thiophene-2-carboxylate is O=C(Oc1cccc(O)c1)c1cccs1.
What is the InChIKey of (3-hydroxyphenyl) thiophene-2-carboxylate?
The InChIKey is SYRWHRSHKVRKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3S/c12-8-3-1-4-9(7-8)14-11(13)10-5-2-6-15-10/h1-7,12H.
What are the key properties of (3-hydroxyphenyl) thiophene-2-carboxylate?
(3-hydroxyphenyl) thiophene-2-carboxylate has a molecular weight of 220.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl) thiophene-2-carboxylate is sourced from PubChem (CID 91704925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).