1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone

C11H12O2S — CID 125480207

IUPAC1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC[C@@H]1c1cccs1
InChIInChI=1S/C11H12O2S/c1-7(12)11-8(2)13-6-9(11)10-4-3-5-14-10/h3-5,9H,6H2,1-2H3/t9-/m1/s1
InChIKeyMODMSGYSHLDNNR-SECBINFHSA-N
MW208.28 g/mol
LogP2.72
Rot. Bonds2

About 1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone

1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone (PubChem CID 125480207) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone
PubChem CID125480207
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC[C@@H]1c1cccs1
InChIInChI=1S/C11H12O2S/c1-7(12)11-8(2)13-6-9(11)10-4-3-5-14-10/h3-5,9H,6H2,1-2H3/t9-/m1/s1
InChIKeyMODMSGYSHLDNNR-SECBINFHSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone?
The IUPAC name of 1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone (CID 125480207) is 1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone.
What is the SMILES notation for 1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone?
The canonical SMILES for 1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone is CC(=O)C1=C(C)OC[C@@H]1c1cccs1.
What is the InChIKey of 1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone?
The InChIKey is MODMSGYSHLDNNR-SECBINFHSA-N. The full InChI is InChI=1S/C11H12O2S/c1-7(12)11-8(2)13-6-9(11)10-4-3-5-14-10/h3-5,9H,6H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone?
1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone has a molecular weight of 208.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-5-methyl-3-thiophen-2-yl-2,3-dihydrofuran-4-yl]ethanone is sourced from PubChem (CID 125480207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).