(2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane

C19H22O3S — CID 134936921

IUPAC(2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane
SMILESCc1ccc(S(=O)C[C@H]2C[C@@H](C)O[C@@H](c3ccccc3)O2)cc1
InChIInChI=1S/C19H22O3S/c1-14-8-10-18(11-9-14)23(20)13-17-12-15(2)21-19(22-17)16-6-4-3-5-7-16/h3-11,15,17,19H,12-13H2,1-2H3/t15-,17-,19-,23?/m1/s1
InChIKeyUVQFBMHNTOJOBP-XZTSCBNISA-N
MW330.45 g/mol
LogP4.00
Rot. Bonds4

About (2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane

(2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane (PubChem CID 134936921) has the molecular formula C19H22O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is (2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Name(2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane
PubChem CID134936921
Molecular FormulaC19H22O3S
Molecular Weight330.45 g/mol
Exact Mass330.13
IUPAC Name(2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane
SMILESCc1ccc(S(=O)C[C@H]2C[C@@H](C)O[C@@H](c3ccccc3)O2)cc1
InChIInChI=1S/C19H22O3S/c1-14-8-10-18(11-9-14)23(20)13-17-12-15(2)21-19(22-17)16-6-4-3-5-7-16/h3-11,15,17,19H,12-13H2,1-2H3/t15-,17-,19-,23?/m1/s1
InChIKeyUVQFBMHNTOJOBP-XZTSCBNISA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Orthobenzoic acid, p-(methylsulfonyl)-, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol
CID 175738
1-methyl-4-[(E)-3-phenylmethoxyprop-1-enyl]sulfonylbenzene
CID 101696273
2-Phenyl-1,3-dioxan-5-yl 4-methylbenzenesulfonate
CID 3089973
benzyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
CID 10469386
[(2-Ethoxy-2-phenylethyl)sulfanyl]benzene
CID 13207462
{[2-(Benzenesulfinyl)ethoxy]methyl}benzene
CID 12338420
1-[(E)-1-fluoro-3-phenylmethoxyprop-1-enyl]sulfinyl-4-methylbenzene
CID 5325484
1-[(R)-[(E)-1-fluoro-3-phenylmethoxyprop-1-enyl]sulfinyl]-4-methylbenzene
CID 9601146
1-[(2S)-3,3-difluoro-3-phenyl-2-phenylmethoxypropyl]sulfinyl-4-methylbenzene
CID 101624772
1-[(2S)-3,3-difluoro-2-phenylmethoxybutyl]sulfinyl-4-methylbenzene
CID 101624773
1-Tetrahydropyranyloxy-1-[2-(4-fluorophenylthio)phenyl]prop-2-ene
CID 53688373
Ethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-lambda6-sulfane
CID 57270484

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane?
The IUPAC name of (2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane (CID 134936921) is (2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane.
What is the SMILES notation for (2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane?
The canonical SMILES for (2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane is Cc1ccc(S(=O)C[C@H]2C[C@@H](C)O[C@@H](c3ccccc3)O2)cc1.
What is the InChIKey of (2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane?
The InChIKey is UVQFBMHNTOJOBP-XZTSCBNISA-N. The full InChI is InChI=1S/C19H22O3S/c1-14-8-10-18(11-9-14)23(20)13-17-12-15(2)21-19(22-17)16-6-4-3-5-7-16/h3-11,15,17,19H,12-13H2,1-2H3/t15-,17-,19-,23?/m1/s1.
What are the key properties of (2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane?
(2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane has a molecular weight of 330.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6R)-4-methyl-6-[(4-methylphenyl)sulfinylmethyl]-2-phenyl-1,3-dioxane is sourced from PubChem (CID 134936921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).