(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone

C14H11IO2S — CID 114279701

IUPAC(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc(I)cc3c2OCC3)s1
InChIInChI=1S/C14H11IO2S/c1-8-2-3-12(18-8)13(16)11-7-10(15)6-9-4-5-17-14(9)11/h2-3,6-7H,4-5H2,1H3
InChIKeyZZOQIESRSKPTAU-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.83
Rot. Bonds2

About (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone

(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 114279701) has the molecular formula C14H11IO2S and a molecular weight of 370.21 g/mol. Its IUPAC name is (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID114279701
Molecular FormulaC14H11IO2S
Molecular Weight370.21 g/mol
Exact Mass369.95
IUPAC Name(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc(I)cc3c2OCC3)s1
InChIInChI=1S/C14H11IO2S/c1-8-2-3-12(18-8)13(16)11-7-10(15)6-9-4-5-17-14(9)11/h2-3,6-7H,4-5H2,1H3
InChIKeyZZOQIESRSKPTAU-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone (CID 114279701) is (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2cc(I)cc3c2OCC3)s1.
What is the InChIKey of (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is ZZOQIESRSKPTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO2S/c1-8-2-3-12(18-8)13(16)11-7-10(15)6-9-4-5-17-14(9)11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone?
(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 370.21 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 114279701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).