[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate

C16H10O4S2 — CID 811680

IUPAC[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
SMILESO=C(Oc1ccc(OC(=O)c2cccs2)cc1)c1cccs1
InChIInChI=1S/C16H10O4S2/c17-15(13-3-1-9-21-13)19-11-5-7-12(8-6-11)20-16(18)14-4-2-10-22-14/h1-10H
InChIKeyGTNOSUJDNGJLEW-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.25
Rot. Bonds4

About [4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate

[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate (PubChem CID 811680) has the molecular formula C16H10O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is [4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
PubChem CID811680
Molecular FormulaC16H10O4S2
Molecular Weight330.39 g/mol
Exact Mass330.00
IUPAC Name[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
SMILESO=C(Oc1ccc(OC(=O)c2cccs2)cc1)c1cccs1
InChIInChI=1S/C16H10O4S2/c17-15(13-3-1-9-21-13)19-11-5-7-12(8-6-11)20-16(18)14-4-2-10-22-14/h1-10H
InChIKeyGTNOSUJDNGJLEW-UHFFFAOYSA-N
XLogP4.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl) thiophene-2-carboxylate
CID 573740
(4-propanoylphenyl) thiophene-2-carboxylate
CID 811700
(3-hydroxyphenyl) thiophene-2-carboxylate
CID 91704925
CID 172994739
CID 172994739
(4-chloro-3,5-dimethylphenyl) thiophene-2-carboxylate
CID 718567
[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 1092077
[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 19184736
(3-methyl-4-propan-2-ylphenyl) thiophene-2-carboxylate
CID 881438
phenyl thiophene-2-carboperoxoate
CID 91186228
(3-ethynylphenyl) thiophene-2-carboxylate
CID 91802014
[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] thiophene-2-carboxylate
CID 3737327
[4-[(Z)-benzenesulfonyliminomethyl]phenyl] thiophene-2-carboxylate
CID 110518798

Frequently Asked Questions

What is the IUPAC name of [4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate?
The IUPAC name of [4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate (CID 811680) is [4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate.
What is the SMILES notation for [4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate?
The canonical SMILES for [4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate is O=C(Oc1ccc(OC(=O)c2cccs2)cc1)c1cccs1.
What is the InChIKey of [4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate?
The InChIKey is GTNOSUJDNGJLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4S2/c17-15(13-3-1-9-21-13)19-11-5-7-12(8-6-11)20-16(18)14-4-2-10-22-14/h1-10H.
What are the key properties of [4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate?
[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate is sourced from PubChem (CID 811680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).