1-phosphanylsulfonyloxypropylbenzene

C9H13O3PS — CID 174794553

IUPAC1-phosphanylsulfonyloxypropylbenzene
SMILESCCC(OS(=O)(=O)P)c1ccccc1
InChIInChI=1S/C9H13O3PS/c1-2-9(12-14(10,11)13)8-6-4-3-5-7-8/h3-7,9H,2,13H2,1H3
InChIKeyCIUWQLPUERDDGF-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.27
Rot. Bonds4

About 1-phosphanylsulfonyloxypropylbenzene

1-phosphanylsulfonyloxypropylbenzene (PubChem CID 174794553) has the molecular formula C9H13O3PS and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-phosphanylsulfonyloxypropylbenzene.

Molecular Properties

Compound Name1-phosphanylsulfonyloxypropylbenzene
PubChem CID174794553
Molecular FormulaC9H13O3PS
Molecular Weight232.24 g/mol
Exact Mass232.03
IUPAC Name1-phosphanylsulfonyloxypropylbenzene
SMILESCCC(OS(=O)(=O)P)c1ccccc1
InChIInChI=1S/C9H13O3PS/c1-2-9(12-14(10,11)13)8-6-4-3-5-7-8/h3-7,9H,2,13H2,1H3
InChIKeyCIUWQLPUERDDGF-UHFFFAOYSA-N
XLogP2.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-bis(1-phenylpropoxy)silane
CID 91741555
1-phenylpropyl prop-2-enoate;sulfuric acid
CID 174783209
1-phenylpropyl 2-phenylpropanoate
CID 174489936
1-phenylpropyl 2-hydroxyacetate
CID 174847309
1-(1-phenylpropoxy)ethanethiol
CID 126486623
1-(trifluoromethoxy)propylbenzene
CID 174717015
1-pentoxypropylbenzene
CID 57033372
methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride
CID 175100899
1-phenylpropyl 2-phenylacetate
CID 59360641
1-ethylsulfonylethane;2-phenylbutanenitrile
CID 174853089
1-(1-phenylpropoxy)ethane-1,2-diol
CID 68934607
4-(benzenesulfonyloxy)hexan-3-yl benzenesulfonate
CID 89440686

Frequently Asked Questions

What is the IUPAC name of 1-phosphanylsulfonyloxypropylbenzene?
The IUPAC name of 1-phosphanylsulfonyloxypropylbenzene (CID 174794553) is 1-phosphanylsulfonyloxypropylbenzene.
What is the SMILES notation for 1-phosphanylsulfonyloxypropylbenzene?
The canonical SMILES for 1-phosphanylsulfonyloxypropylbenzene is CCC(OS(=O)(=O)P)c1ccccc1.
What is the InChIKey of 1-phosphanylsulfonyloxypropylbenzene?
The InChIKey is CIUWQLPUERDDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O3PS/c1-2-9(12-14(10,11)13)8-6-4-3-5-7-8/h3-7,9H,2,13H2,1H3.
What are the key properties of 1-phosphanylsulfonyloxypropylbenzene?
1-phosphanylsulfonyloxypropylbenzene has a molecular weight of 232.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanylsulfonyloxypropylbenzene is sourced from PubChem (CID 174794553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).