diphenyl 2-thiophen-2-ylpropanedioate

C19H14O4S — CID 70618855

IUPACdiphenyl 2-thiophen-2-ylpropanedioate
SMILESO=C(Oc1ccccc1)C(C(=O)Oc1ccccc1)c1cccs1
InChIInChI=1S/C19H14O4S/c20-18(22-14-8-3-1-4-9-14)17(16-12-7-13-24-16)19(21)23-15-10-5-2-6-11-15/h1-13,17H
InChIKeyHISCVPLPWZCXCF-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.04
Rot. Bonds5

About diphenyl 2-thiophen-2-ylpropanedioate

diphenyl 2-thiophen-2-ylpropanedioate (PubChem CID 70618855) has the molecular formula C19H14O4S and a molecular weight of 338.38 g/mol. Its IUPAC name is diphenyl 2-thiophen-2-ylpropanedioate.

Molecular Properties

Compound Namediphenyl 2-thiophen-2-ylpropanedioate
PubChem CID70618855
Molecular FormulaC19H14O4S
Molecular Weight338.38 g/mol
Exact Mass338.06
IUPAC Namediphenyl 2-thiophen-2-ylpropanedioate
SMILESO=C(Oc1ccccc1)C(C(=O)Oc1ccccc1)c1cccs1
InChIInChI=1S/C19H14O4S/c20-18(22-14-8-3-1-4-9-14)17(16-12-7-13-24-16)19(21)23-15-10-5-2-6-11-15/h1-13,17H
InChIKeyHISCVPLPWZCXCF-UHFFFAOYSA-N
XLogP4.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenyl 2-thiophen-2-ylpropanedioate?
The IUPAC name of diphenyl 2-thiophen-2-ylpropanedioate (CID 70618855) is diphenyl 2-thiophen-2-ylpropanedioate.
What is the SMILES notation for diphenyl 2-thiophen-2-ylpropanedioate?
The canonical SMILES for diphenyl 2-thiophen-2-ylpropanedioate is O=C(Oc1ccccc1)C(C(=O)Oc1ccccc1)c1cccs1.
What is the InChIKey of diphenyl 2-thiophen-2-ylpropanedioate?
The InChIKey is HISCVPLPWZCXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4S/c20-18(22-14-8-3-1-4-9-14)17(16-12-7-13-24-16)19(21)23-15-10-5-2-6-11-15/h1-13,17H.
What are the key properties of diphenyl 2-thiophen-2-ylpropanedioate?
diphenyl 2-thiophen-2-ylpropanedioate has a molecular weight of 338.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl 2-thiophen-2-ylpropanedioate is sourced from PubChem (CID 70618855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).