(2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane

C13H18O2S — CID 11264913

IUPAC(2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane
SMILESCc1ccc([S@](=O)C[C@@]2(C)CCCO2)cc1
InChIInChI=1S/C13H18O2S/c1-11-4-6-12(7-5-11)16(14)10-13(2)8-3-9-15-13/h4-7H,3,8-10H2,1-2H3/t13-,16-/m1/s1
InChIKeyQDNKTDFBOWWIDW-CZUORRHYSA-N
MW238.35 g/mol
LogP2.67
Rot. Bonds3

About (2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane

(2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane (PubChem CID 11264913) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is (2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane.

Molecular Properties

Compound Name(2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane
PubChem CID11264913
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name(2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane
SMILESCc1ccc([S@](=O)C[C@@]2(C)CCCO2)cc1
InChIInChI=1S/C13H18O2S/c1-11-4-6-12(7-5-11)16(14)10-13(2)8-3-9-15-13/h4-7H,3,8-10H2,1-2H3/t13-,16-/m1/s1
InChIKeyQDNKTDFBOWWIDW-CZUORRHYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-chlorophenyl)sulfinylmethyl]-3-methyl-1,2,5-trioxaspiro[5.5]undecane
CID 46210646
cis-(1S,2S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-[[(R)-(4-methylphenyl)sulfinyl]methyl]cyclohexan-1-ol
CID 11486112
2-amino-N-[(2-methyloxolan-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668420
4-hydroxy-4-[[(S)-(4-methylphenyl)sulfinyl]methyl]cyclohexa-2,5-dien-1-one
CID 11322988
2-(2-methyl-1,3-dioxolan-2-yl)ethyl 4-methylbenzenesulfinate
CID 143119381
4-hydroxy-3,5-dimethyl-4-[(4-methylphenyl)sulfinylmethyl]cyclohexa-2,5-dien-1-one
CID 85196809
trimethyl-[2-(4-methylphenyl)sulfinylethyl]silane
CID 23729825
1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene
CID 15250886
[(2S)-2-[(4-methylphenyl)sulfinylmethyl]oxiran-2-yl]methyl benzoate
CID 23241021
6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol
CID 24865495
1-(2,2-dimethylpropylsulfinyl)-4-methylbenzene
CID 86203544
2-methyl-2-(4-methylphenyl)oxane
CID 132966146

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane?
The IUPAC name of (2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane (CID 11264913) is (2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane.
What is the SMILES notation for (2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane?
The canonical SMILES for (2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane is Cc1ccc([S@](=O)C[C@@]2(C)CCCO2)cc1.
What is the InChIKey of (2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane?
The InChIKey is QDNKTDFBOWWIDW-CZUORRHYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-11-4-6-12(7-5-11)16(14)10-13(2)8-3-9-15-13/h4-7H,3,8-10H2,1-2H3/t13-,16-/m1/s1.
What are the key properties of (2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane?
(2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane has a molecular weight of 238.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane is sourced from PubChem (CID 11264913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).