2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid

C15H23O3PS — CID 130332339

IUPAC2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid
SMILESCC(C)P(c1ccccc1S(=O)(=O)O)C1CCCCC1
InChIInChI=1S/C15H23O3PS/c1-12(2)19(13-8-4-3-5-9-13)14-10-6-7-11-15(14)20(16,17)18/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyOAGHAZVJVWSBRO-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.78
Rot. Bonds4

About 2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid

2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid (PubChem CID 130332339) has the molecular formula C15H23O3PS and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid.

Molecular Properties

Compound Name2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid
PubChem CID130332339
Molecular FormulaC15H23O3PS
Molecular Weight314.39 g/mol
Exact Mass314.11
IUPAC Name2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid
SMILESCC(C)P(c1ccccc1S(=O)(=O)O)C1CCCCC1
InChIInChI=1S/C15H23O3PS/c1-12(2)19(13-8-4-3-5-9-13)14-10-6-7-11-15(14)20(16,17)18/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyOAGHAZVJVWSBRO-UHFFFAOYSA-N
XLogP3.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl-[2-[(Z)-1-methoxyprop-1-en-2-yl]phenyl]-propan-2-ylphosphane
CID 143955002
lithium 2-[chloro(cyclohexyl)phosphanyl]benzenesulfonate
CID 155804005
2-[2-bis(2-sulfophenyl)phosphanylethyl-(2-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 19368965
2-cyclohexylbenzenesulfonic acid
CID 14574322
2-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]phosphanylbenzenesulfonic acid
CID 102219109
3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonic acid
CID 11555318
cyclopentyl(dimethyl)phosphane;dimethyl-(2-propan-2-ylphenyl)phosphane;ethane
CID 91270431
cyclohexanamine;2-dodecylbenzenesulfonic acid
CID 71361395
1-cyclohexyl-2-methyl-3-(2-methylphenyl)sulfonylpropan-1-one
CID 56980064
2-dicyclohexylphosphanyl-3-(2,6-dimethoxyphenyl)benzenesulfonic acid;methane
CID 172858145
2-[(2-aminopyrrolidin-1-yl)-phenylphosphanyl]benzenesulfonic acid
CID 175018770
2-bis(3,5-ditert-butylphenyl)phosphanylbenzenesulfonic acid
CID 59676295

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid?
The IUPAC name of 2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid (CID 130332339) is 2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid.
What is the SMILES notation for 2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid?
The canonical SMILES for 2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid is CC(C)P(c1ccccc1S(=O)(=O)O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid?
The InChIKey is OAGHAZVJVWSBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O3PS/c1-12(2)19(13-8-4-3-5-9-13)14-10-6-7-11-15(14)20(16,17)18/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid?
2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid has a molecular weight of 314.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(propan-2-yl)phosphanyl]benzenesulfonic acid is sourced from PubChem (CID 130332339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).