2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane

C12H16O3S — CID 139037149

IUPAC2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane
SMILESCc1ccc([S@](=O)CCC2OCCO2)cc1
InChIInChI=1S/C12H16O3S/c1-10-2-4-11(5-3-10)16(13)9-6-12-14-7-8-15-12/h2-5,12H,6-9H2,1H3/t16-/m1/s1
InChIKeyULJXWOMAKRHDJG-MRXNPFEDSA-N
MW240.32 g/mol
LogP1.87
Rot. Bonds4

About 2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane

2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane (PubChem CID 139037149) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane
PubChem CID139037149
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane
SMILESCc1ccc([S@](=O)CCC2OCCO2)cc1
InChIInChI=1S/C12H16O3S/c1-10-2-4-11(5-3-10)16(13)9-6-12-14-7-8-15-12/h2-5,12H,6-9H2,1H3/t16-/m1/s1
InChIKeyULJXWOMAKRHDJG-MRXNPFEDSA-N
XLogP1.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-Fluoro-3-(methoxymethoxy)propyl]sulfonyl-4-methylbenzene
CID 121011793
(2,2-Diethoxyethyl)(p-tolyl)sulfane
CID 7015317
1-(3,3-Dimethoxypropylsulfonyl)-4-methylbenzene
CID 10901308
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
1-(3-Ethoxy-1-fluoropropyl)sulfonyl-4-methylbenzene
CID 121008073
1-[1-Fluoro-3-(methoxymethoxy)-2-methylsulfanylpropyl]sulfonyl-4-methylbenzene
CID 134875906
3,3-Diethoxypropylsulfanylmethylbenzene
CID 10610987
1-[(R)-2-ethoxyethylsulfinyl]-4-methylbenzene
CID 15004745
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol
CID 15473194
2-[2-(4-Methylbenzene-1-sulfonyl)ethyl]-1,3-dioxolane
CID 12538998
Ethyl 2-(p-tolylsulfinyl)acetate
CID 13068871
Racemic (4,4-dimethyl-1,3-dioxolan-2-yl)methyl 4-methylbenzenesulfonate
CID 87071561

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane (CID 139037149) is 2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane is Cc1ccc([S@](=O)CCC2OCCO2)cc1.
What is the InChIKey of 2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane?
The InChIKey is ULJXWOMAKRHDJG-MRXNPFEDSA-N. The full InChI is InChI=1S/C12H16O3S/c1-10-2-4-11(5-3-10)16(13)9-6-12-14-7-8-15-12/h2-5,12H,6-9H2,1H3/t16-/m1/s1.
What are the key properties of 2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane?
2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane has a molecular weight of 240.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-1,3-dioxolane is sourced from PubChem (CID 139037149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).