(2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol

C12H18O3S — CID 14225951

IUPAC(2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol
SMILESCS(=O)CC[C@@H](O)COCc1ccccc1
InChIInChI=1S/C12H18O3S/c1-16(14)8-7-12(13)10-15-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-,16?/m1/s1
InChIKeyFWEXKXLHVTYCGN-ZGTOLYCTSA-N
MW242.34 g/mol
LogP1.33
Rot. Bonds7

About (2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol

(2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol (PubChem CID 14225951) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is (2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol.

Molecular Properties

Compound Name(2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol
PubChem CID14225951
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name(2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol
SMILESCS(=O)CC[C@@H](O)COCc1ccccc1
InChIInChI=1S/C12H18O3S/c1-16(14)8-7-12(13)10-15-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-,16?/m1/s1
InChIKeyFWEXKXLHVTYCGN-ZGTOLYCTSA-N
XLogP1.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690
CID 172760983
CID 172760983
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-amino-3-phenylmethoxypropan-2-ol;oxalic acid
CID 46735900
1-phenylmethoxyhex-4-yn-2-ol
CID 14428391
(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
CID 10352950
(2S)-1-phenylmethoxyhex-4-yn-2-ol
CID 14428392
(E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol
CID 46217340
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol?
The IUPAC name of (2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol (CID 14225951) is (2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol.
What is the SMILES notation for (2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol?
The canonical SMILES for (2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol is CS(=O)CC[C@@H](O)COCc1ccccc1.
What is the InChIKey of (2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol?
The InChIKey is FWEXKXLHVTYCGN-ZGTOLYCTSA-N. The full InChI is InChI=1S/C12H18O3S/c1-16(14)8-7-12(13)10-15-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-,16?/m1/s1.
What are the key properties of (2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol?
(2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol has a molecular weight of 242.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol is sourced from PubChem (CID 14225951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).