2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol

C12H19O2PS — CID 13048791

IUPAC2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol
SMILESCCCSP(=O)(c1ccccc1)C(C)(C)O
InChIInChI=1S/C12H19O2PS/c1-4-10-16-15(14,12(2,3)13)11-8-6-5-7-9-11/h5-9,13H,4,10H2,1-3H3
InChIKeyHZBHRWPRJXLELJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.46
Rot. Bonds5

About 2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol

2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol (PubChem CID 13048791) has the molecular formula C12H19O2PS and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol.

Molecular Properties

Compound Name2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol
PubChem CID13048791
Molecular FormulaC12H19O2PS
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol
SMILESCCCSP(=O)(c1ccccc1)C(C)(C)O
InChIInChI=1S/C12H19O2PS/c1-4-10-16-15(14,12(2,3)13)11-8-6-5-7-9-11/h5-9,13H,4,10H2,1-3H3
InChIKeyHZBHRWPRJXLELJ-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol?
The IUPAC name of 2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol (CID 13048791) is 2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol.
What is the SMILES notation for 2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol?
The canonical SMILES for 2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol is CCCSP(=O)(c1ccccc1)C(C)(C)O.
What is the InChIKey of 2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol?
The InChIKey is HZBHRWPRJXLELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O2PS/c1-4-10-16-15(14,12(2,3)13)11-8-6-5-7-9-11/h5-9,13H,4,10H2,1-3H3.
What are the key properties of 2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol?
2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol has a molecular weight of 258.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol is sourced from PubChem (CID 13048791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).