6-methylsulfonyl-3-phenylhexan-3-ol

C13H20O3S — CID 65146576

IUPAC6-methylsulfonyl-3-phenylhexan-3-ol
SMILESCCC(O)(CCCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C13H20O3S/c1-3-13(14,10-7-11-17(2,15)16)12-8-5-4-6-9-12/h4-6,8-9,14H,3,7,10-11H2,1-2H3
InChIKeyFPQSZYKFNNULTD-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.11
Rot. Bonds6

About 6-methylsulfonyl-3-phenylhexan-3-ol

6-methylsulfonyl-3-phenylhexan-3-ol (PubChem CID 65146576) has the molecular formula C13H20O3S and a molecular weight of 256.37 g/mol. Its IUPAC name is 6-methylsulfonyl-3-phenylhexan-3-ol.

Molecular Properties

Compound Name6-methylsulfonyl-3-phenylhexan-3-ol
PubChem CID65146576
Molecular FormulaC13H20O3S
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name6-methylsulfonyl-3-phenylhexan-3-ol
SMILESCCC(O)(CCCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C13H20O3S/c1-3-13(14,10-7-11-17(2,15)16)12-8-5-4-6-9-12/h4-6,8-9,14H,3,7,10-11H2,1-2H3
InChIKeyFPQSZYKFNNULTD-UHFFFAOYSA-N
XLogP2.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,7,7-trifluoro-3-phenylheptan-3-ol
CID 113326695
1-amino-3-phenylpentan-3-ol
CID 79006155
(3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol
CID 125487866
(2-hydroxy-2-phenylbutyl) sulfamate
CID 88672538
(2S)-1-bromo-2-phenylbutan-2-ol
CID 101213758
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide
CID 102043543
4-hydroxy-1,1,1,4-tetraphenylhexan-2-one
CID 13396368
3-hydroxy-3-phenylheptanamide
CID 11253019
2-(3-ethylsulfonylpropyl)-2-phenylpropane-1,3-diol
CID 79449954
7,7,7-triphenylheptane-1-sulfonic acid
CID 151892419

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-3-phenylhexan-3-ol?
The IUPAC name of 6-methylsulfonyl-3-phenylhexan-3-ol (CID 65146576) is 6-methylsulfonyl-3-phenylhexan-3-ol.
What is the SMILES notation for 6-methylsulfonyl-3-phenylhexan-3-ol?
The canonical SMILES for 6-methylsulfonyl-3-phenylhexan-3-ol is CCC(O)(CCCS(C)(=O)=O)c1ccccc1.
What is the InChIKey of 6-methylsulfonyl-3-phenylhexan-3-ol?
The InChIKey is FPQSZYKFNNULTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3S/c1-3-13(14,10-7-11-17(2,15)16)12-8-5-4-6-9-12/h4-6,8-9,14H,3,7,10-11H2,1-2H3.
What are the key properties of 6-methylsulfonyl-3-phenylhexan-3-ol?
6-methylsulfonyl-3-phenylhexan-3-ol has a molecular weight of 256.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-3-phenylhexan-3-ol is sourced from PubChem (CID 65146576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).