2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane

C15H22OS2 — CID 10517049

IUPAC2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane
SMILESC[C@@H](COCc1ccccc1)CC1SCCCS1
InChIInChI=1S/C15H22OS2/c1-13(10-15-17-8-5-9-18-15)11-16-12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3/t13-/m1/s1
InChIKeyJMKQHBGPQWAOLH-CYBMUJFWSA-N
MW282.47 g/mol
LogP4.43
Rot. Bonds6

About 2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane

2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane (PubChem CID 10517049) has the molecular formula C15H22OS2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane.

Molecular Properties

Compound Name2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane
PubChem CID10517049
Molecular FormulaC15H22OS2
Molecular Weight282.47 g/mol
Exact Mass282.11
IUPAC Name2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane
SMILESC[C@@H](COCc1ccccc1)CC1SCCCS1
InChIInChI=1S/C15H22OS2/c1-13(10-15-17-8-5-9-18-15)11-16-12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3/t13-/m1/s1
InChIKeyJMKQHBGPQWAOLH-CYBMUJFWSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanal
CID 25112676
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
(2S,3S,4R,5R)-1-(1,3-dithian-2-yl)-2,3,4,6-tetrakis(phenylmethoxy)hexane-1,5-diol
CID 18637750
(2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane
CID 11444288
(3R)-3-methyl-4-phenylmethoxybutanenitrile
CID 69233531
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran
CID 101171403
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
[(E,2R)-5-bromo-2-methylpent-3-enoxy]methylbenzene
CID 135014115

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane?
The IUPAC name of 2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane (CID 10517049) is 2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane.
What is the SMILES notation for 2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane?
The canonical SMILES for 2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane is C[C@@H](COCc1ccccc1)CC1SCCCS1.
What is the InChIKey of 2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane?
The InChIKey is JMKQHBGPQWAOLH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22OS2/c1-13(10-15-17-8-5-9-18-15)11-16-12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane?
2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane has a molecular weight of 282.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane is sourced from PubChem (CID 10517049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).