1-benzylsulfonyl-3-methoxypropan-2-ol

C11H16O4S — CID 6456201

IUPAC1-benzylsulfonyl-3-methoxypropan-2-ol
SMILESCOCC(O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H16O4S/c1-15-7-11(12)9-16(13,14)8-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKeyJRMHPGMATQEYLU-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.61
Rot. Bonds6

About 1-benzylsulfonyl-3-methoxypropan-2-ol

1-benzylsulfonyl-3-methoxypropan-2-ol (PubChem CID 6456201) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-benzylsulfonyl-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-benzylsulfonyl-3-methoxypropan-2-ol
PubChem CID6456201
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name1-benzylsulfonyl-3-methoxypropan-2-ol
SMILESCOCC(O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H16O4S/c1-15-7-11(12)9-16(13,14)8-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKeyJRMHPGMATQEYLU-UHFFFAOYSA-N
XLogP0.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977010
3-benzylsulfonylpropane-1,2-diol
CID 111757505
1-(benzenesulfonyl)-3-methoxypropan-2-ol
CID 107508907
2,2-dimethoxyethylsulfonylmethylbenzene
CID 66221543
(2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 27171385
(2R)-1-benzylsulfonyl-3-[4-(trifluoromethoxy)phenoxy]propan-2-ol
CID 6975397
1-[(3-fluorophenyl)methylsulfonyl]-3-phenoxypropan-2-ol
CID 47560288
2,2-diethoxyethylsulfonylmethylbenzene
CID 64641584
2-benzylsulfonyl-1-(4-methylphenyl)ethanol
CID 111472432
1-(2-chlorophenyl)sulfonyl-3-methoxypropan-2-ol
CID 107508912
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol
CID 47561427
2-amino-3-benzylsulfonylpropanoic acid
CID 4142691

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-3-methoxypropan-2-ol?
The IUPAC name of 1-benzylsulfonyl-3-methoxypropan-2-ol (CID 6456201) is 1-benzylsulfonyl-3-methoxypropan-2-ol.
What is the SMILES notation for 1-benzylsulfonyl-3-methoxypropan-2-ol?
The canonical SMILES for 1-benzylsulfonyl-3-methoxypropan-2-ol is COCC(O)CS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-benzylsulfonyl-3-methoxypropan-2-ol?
The InChIKey is JRMHPGMATQEYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S/c1-15-7-11(12)9-16(13,14)8-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3.
What are the key properties of 1-benzylsulfonyl-3-methoxypropan-2-ol?
1-benzylsulfonyl-3-methoxypropan-2-ol has a molecular weight of 244.31 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-3-methoxypropan-2-ol is sourced from PubChem (CID 6456201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).