(2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene

C11H11IS — CID 130391151

IUPAC(2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene
SMILESCC1=CC[C@H](c2cccc(I)c2)S1
InChIInChI=1S/C11H11IS/c1-8-5-6-11(13-8)9-3-2-4-10(12)7-9/h2-5,7,11H,6H2,1H3/t11-/m1/s1
InChIKeyKRTPXRYXFGAZGF-LLVKDONJSA-N
MW302.18 g/mol
LogP4.37
Rot. Bonds1

About (2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene

(2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene (PubChem CID 130391151) has the molecular formula C11H11IS and a molecular weight of 302.18 g/mol. Its IUPAC name is (2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name(2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene
PubChem CID130391151
Molecular FormulaC11H11IS
Molecular Weight302.18 g/mol
Exact Mass301.96
IUPAC Name(2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene
SMILESCC1=CC[C@H](c2cccc(I)c2)S1
InChIInChI=1S/C11H11IS/c1-8-5-6-11(13-8)9-3-2-4-10(12)7-9/h2-5,7,11H,6H2,1H3/t11-/m1/s1
InChIKeyKRTPXRYXFGAZGF-LLVKDONJSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene?
The IUPAC name of (2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene (CID 130391151) is (2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene.
What is the SMILES notation for (2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene?
The canonical SMILES for (2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene is CC1=CC[C@H](c2cccc(I)c2)S1.
What is the InChIKey of (2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene?
The InChIKey is KRTPXRYXFGAZGF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H11IS/c1-8-5-6-11(13-8)9-3-2-4-10(12)7-9/h2-5,7,11H,6H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene?
(2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene has a molecular weight of 302.18 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 130391151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).