(5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone

C14H10O3S — CID 620971

IUPAC(5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone
SMILESCOc1ccc2occ(C(=O)c3cccs3)c2c1
InChIInChI=1S/C14H10O3S/c1-16-9-4-5-12-10(7-9)11(8-17-12)14(15)13-3-2-6-18-13/h2-8H,1H3
InChIKeyTXDONRRSHXDVTK-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.73
Rot. Bonds3

About (5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone

(5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone (PubChem CID 620971) has the molecular formula C14H10O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is (5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone
PubChem CID620971
Molecular FormulaC14H10O3S
Molecular Weight258.30 g/mol
Exact Mass258.04
IUPAC Name(5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone
SMILESCOc1ccc2occ(C(=O)c3cccs3)c2c1
InChIInChI=1S/C14H10O3S/c1-16-9-4-5-12-10(7-9)11(8-17-12)14(15)13-3-2-6-18-13/h2-8H,1H3
InChIKeyTXDONRRSHXDVTK-UHFFFAOYSA-N
XLogP3.73
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone (CID 620971) is (5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone is COc1ccc2occ(C(=O)c3cccs3)c2c1.
What is the InChIKey of (5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone?
The InChIKey is TXDONRRSHXDVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S/c1-16-9-4-5-12-10(7-9)11(8-17-12)14(15)13-3-2-6-18-13/h2-8H,1H3.
What are the key properties of (5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone?
(5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone has a molecular weight of 258.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 620971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).