1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene

C17H20O3S — CID 122219944

IUPAC1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1[C@@H](C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20O3S/c1-13-9-10-16(17(11-13)20-3)14(2)12-21(18,19)15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3/t14-/m0/s1
InChIKeyVJQNVEIGIDXYQE-AWEZNQCLSA-N
MW304.41 g/mol
LogP3.58
Rot. Bonds5

About 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene

1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene (PubChem CID 122219944) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene
PubChem CID122219944
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1[C@@H](C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20O3S/c1-13-9-10-16(17(11-13)20-3)14(2)12-21(18,19)15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3/t14-/m0/s1
InChIKeyVJQNVEIGIDXYQE-AWEZNQCLSA-N
XLogP3.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585319
[(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride
CID 121438246
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 82395562
2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol
CID 106790666
1-(2,2-dimethoxyethylsulfonyl)-3-methylbenzene
CID 66222400
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
1-(2-methoxy-4-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone
CID 64642175

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene?
The IUPAC name of 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene (CID 122219944) is 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene is COc1cc(C)ccc1[C@@H](C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene?
The InChIKey is VJQNVEIGIDXYQE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20O3S/c1-13-9-10-16(17(11-13)20-3)14(2)12-21(18,19)15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene?
1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene has a molecular weight of 304.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene is sourced from PubChem (CID 122219944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).