5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol

C15H24O4S — CID 83927137

IUPAC5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol
SMILESCC(CC(O)C(C)O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C15H24O4S/c1-10(2)20(18,19)14-7-5-13(6-8-14)11(3)9-15(17)12(4)16/h5-8,10-12,15-17H,9H2,1-4H3
InChIKeyFAPJGTBWIRNNGX-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.10
Rot. Bonds6

About 5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol

5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol (PubChem CID 83927137) has the molecular formula C15H24O4S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol.

Molecular Properties

Compound Name5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol
PubChem CID83927137
Molecular FormulaC15H24O4S
Molecular Weight300.42 g/mol
Exact Mass300.14
IUPAC Name5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol
SMILESCC(CC(O)C(C)O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C15H24O4S/c1-10(2)20(18,19)14-7-5-13(6-8-14)11(3)9-15(17)12(4)16/h5-8,10-12,15-17H,9H2,1-4H3
InChIKeyFAPJGTBWIRNNGX-UHFFFAOYSA-N
XLogP2.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-ylsulfonylphenyl)propan-1-amine
CID 82497202
1-(4-chlorobutan-2-yl)-4-propan-2-ylsulfonylbenzene
CID 112717748
2-(4-methylsulfonylphenyl)octane-4,5-diol
CID 83926393
5-(4-propylphenyl)hexane-2,3-diol
CID 83921595
2-methyl-3-[2-(4-propan-2-ylsulfonylphenyl)propyl]oxirane
CID 83927122
5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol
CID 83927012
3-(4-propan-2-ylsulfonylphenyl)butyl thiocyanate
CID 112717744
2-methyl-1-(4-propan-2-ylsulfonylphenyl)propan-1-amine
CID 82499664
(1-aminocyclopropyl)-(4-propan-2-ylsulfonylphenyl)methanol
CID 116836205
2-bromo-1-(4-propan-2-ylsulfonylphenyl)ethanone
CID 70700384
5-(3,5-dimethylphenyl)hexane-2,3-diol
CID 83922432
2-(4-propan-2-ylsulfonylphenyl)ethanol
CID 69406011

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol?
The IUPAC name of 5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol (CID 83927137) is 5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol.
What is the SMILES notation for 5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol?
The canonical SMILES for 5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol is CC(CC(O)C(C)O)c1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of 5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol?
The InChIKey is FAPJGTBWIRNNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4S/c1-10(2)20(18,19)14-7-5-13(6-8-14)11(3)9-15(17)12(4)16/h5-8,10-12,15-17H,9H2,1-4H3.
What are the key properties of 5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol?
5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol has a molecular weight of 300.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol is sourced from PubChem (CID 83927137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).