5-ethylsulfonyl-1-phenylpentan-1-ol

C13H20O3S — CID 65095328

IUPAC5-ethylsulfonyl-1-phenylpentan-1-ol
SMILESCCS(=O)(=O)CCCCC(O)c1ccccc1
InChIInChI=1S/C13H20O3S/c1-2-17(15,16)11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3
InChIKeyAMSOBCUFVDDCJX-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.33
Rot. Bonds7

About 5-ethylsulfonyl-1-phenylpentan-1-ol

5-ethylsulfonyl-1-phenylpentan-1-ol (PubChem CID 65095328) has the molecular formula C13H20O3S and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-phenylpentan-1-ol.

Molecular Properties

Compound Name5-ethylsulfonyl-1-phenylpentan-1-ol
PubChem CID65095328
Molecular FormulaC13H20O3S
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name5-ethylsulfonyl-1-phenylpentan-1-ol
SMILESCCS(=O)(=O)CCCCC(O)c1ccccc1
InChIInChI=1S/C13H20O3S/c1-2-17(15,16)11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3
InChIKeyAMSOBCUFVDDCJX-UHFFFAOYSA-N
XLogP2.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol
CID 13482580
1-[4-(difluoromethyl)phenyl]-4-ethylsulfonylbutan-1-ol
CID 115524970
(1R)-1-phenyloctan-1-ol
CID 12794259
(1S)-1-phenylpentan-1-ol
CID 6992754
4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 65098166
1-ethylsulfonyl-6-phenylheptan-4-ol
CID 65150364
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
CID 69241764
N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
CID 111466269
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541
4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol
CID 65148469
5-methyl-1-phenylhexan-1-ol
CID 10997859
5-bromo-1-phenylpentan-1-ol
CID 121216668

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-phenylpentan-1-ol?
The IUPAC name of 5-ethylsulfonyl-1-phenylpentan-1-ol (CID 65095328) is 5-ethylsulfonyl-1-phenylpentan-1-ol.
What is the SMILES notation for 5-ethylsulfonyl-1-phenylpentan-1-ol?
The canonical SMILES for 5-ethylsulfonyl-1-phenylpentan-1-ol is CCS(=O)(=O)CCCCC(O)c1ccccc1.
What is the InChIKey of 5-ethylsulfonyl-1-phenylpentan-1-ol?
The InChIKey is AMSOBCUFVDDCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3S/c1-2-17(15,16)11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3.
What are the key properties of 5-ethylsulfonyl-1-phenylpentan-1-ol?
5-ethylsulfonyl-1-phenylpentan-1-ol has a molecular weight of 256.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-phenylpentan-1-ol is sourced from PubChem (CID 65095328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).