(5-phenylthiophen-2-yl) formate

C11H8O2S — CID 174545839

IUPAC(5-phenylthiophen-2-yl) formate
SMILESO=COc1ccc(-c2ccccc2)s1
InChIInChI=1S/C11H8O2S/c12-8-13-11-7-6-10(14-11)9-4-2-1-3-5-9/h1-8H
InChIKeyYAFVPRGXNUBMAW-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.95
Rot. Bonds3

About (5-phenylthiophen-2-yl) formate

(5-phenylthiophen-2-yl) formate (PubChem CID 174545839) has the molecular formula C11H8O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is (5-phenylthiophen-2-yl) formate.

Molecular Properties

Compound Name(5-phenylthiophen-2-yl) formate
PubChem CID174545839
Molecular FormulaC11H8O2S
Molecular Weight204.25 g/mol
Exact Mass204.02
IUPAC Name(5-phenylthiophen-2-yl) formate
SMILESO=COc1ccc(-c2ccccc2)s1
InChIInChI=1S/C11H8O2S/c12-8-13-11-7-6-10(14-11)9-4-2-1-3-5-9/h1-8H
InChIKeyYAFVPRGXNUBMAW-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-phenylthiophen-2-yl) formate?
The IUPAC name of (5-phenylthiophen-2-yl) formate (CID 174545839) is (5-phenylthiophen-2-yl) formate.
What is the SMILES notation for (5-phenylthiophen-2-yl) formate?
The canonical SMILES for (5-phenylthiophen-2-yl) formate is O=COc1ccc(-c2ccccc2)s1.
What is the InChIKey of (5-phenylthiophen-2-yl) formate?
The InChIKey is YAFVPRGXNUBMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2S/c12-8-13-11-7-6-10(14-11)9-4-2-1-3-5-9/h1-8H.
What are the key properties of (5-phenylthiophen-2-yl) formate?
(5-phenylthiophen-2-yl) formate has a molecular weight of 204.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylthiophen-2-yl) formate is sourced from PubChem (CID 174545839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).