[2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate

C20H16O5S — CID 17138532

IUPAC[2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate
SMILESO=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1cccs1
InChIInChI=1S/C20H16O5S/c21-19(24-13-12-23-15-7-2-1-3-8-15)16-9-4-5-10-17(16)25-20(22)18-11-6-14-26-18/h1-11,14H,12-13H2
InChIKeyRJQCRJUPBYWHGL-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.20
Rot. Bonds7

About [2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate

[2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate (PubChem CID 17138532) has the molecular formula C20H16O5S and a molecular weight of 368.41 g/mol. Its IUPAC name is [2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate
PubChem CID17138532
Molecular FormulaC20H16O5S
Molecular Weight368.41 g/mol
Exact Mass368.07
IUPAC Name[2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate
SMILESO=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1cccs1
InChIInChI=1S/C20H16O5S/c21-19(24-13-12-23-15-7-2-1-3-8-15)16-9-4-5-10-17(16)25-20(22)18-11-6-14-26-18/h1-11,14H,12-13H2
InChIKeyRJQCRJUPBYWHGL-UHFFFAOYSA-N
XLogP4.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-2-thiophen-2-ylethyl) 2-(2-phenoxyethoxy)benzoate
CID 2549435
2-phenoxyethyl 2-benzoyloxybenzoate
CID 17138536
[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate
CID 17138630
2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate
CID 17138527
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate
CID 28567581
2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17138631
2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate
CID 17138554
(2-phenylphenyl) thiophene-2-carboxylate
CID 922979
2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16595121
2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone
CID 43798587
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenoxyethoxy)benzoate
CID 4537323
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631

Frequently Asked Questions

What is the IUPAC name of [2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate?
The IUPAC name of [2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate (CID 17138532) is [2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate is O=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1cccs1.
What is the InChIKey of [2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate?
The InChIKey is RJQCRJUPBYWHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5S/c21-19(24-13-12-23-15-7-2-1-3-8-15)16-9-4-5-10-17(16)25-20(22)18-11-6-14-26-18/h1-11,14H,12-13H2.
What are the key properties of [2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate?
[2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate has a molecular weight of 368.41 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate is sourced from PubChem (CID 17138532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).