(2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane

C12H16O2S — CID 130321966

IUPAC(2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane
SMILESCc1ccc(SOC[C@H]2CCCO2)cc1
InChIInChI=1S/C12H16O2S/c1-10-4-6-12(7-5-10)15-14-9-11-3-2-8-13-11/h4-7,11H,2-3,8-9H2,1H3/t11-/m1/s1
InChIKeyBDKATYVUINPXHG-LLVKDONJSA-N
MW224.32 g/mol
LogP3.20
Rot. Bonds4

About (2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane

(2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane (PubChem CID 130321966) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is (2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane.

Molecular Properties

Compound Name(2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane
PubChem CID130321966
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name(2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane
SMILESCc1ccc(SOC[C@H]2CCCO2)cc1
InChIInChI=1S/C12H16O2S/c1-10-4-6-12(7-5-10)15-14-9-11-3-2-8-13-11/h4-7,11H,2-3,8-9H2,1H3/t11-/m1/s1
InChIKeyBDKATYVUINPXHG-LLVKDONJSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane?
The IUPAC name of (2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane (CID 130321966) is (2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane.
What is the SMILES notation for (2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane?
The canonical SMILES for (2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane is Cc1ccc(SOC[C@H]2CCCO2)cc1.
What is the InChIKey of (2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane?
The InChIKey is BDKATYVUINPXHG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16O2S/c1-10-4-6-12(7-5-10)15-14-9-11-3-2-8-13-11/h4-7,11H,2-3,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane?
(2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane has a molecular weight of 224.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methylphenyl)sulfanyloxymethyl]oxolane is sourced from PubChem (CID 130321966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).