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

C11H17O2P — CID 789342

IUPAC2-[ethyl(phenyl)phosphoryl]propan-2-ol
SMILESCCP(=O)(c1ccccc1)C(C)(C)O
InChIInChI=1S/C11H17O2P/c1-4-14(13,11(2,3)12)10-8-6-5-7-9-10/h5-9,12H,4H2,1-3H3
InChIKeyFLJRJXXROFBZNS-UHFFFAOYSA-N
MW212.23 g/mol
LogP2.42
Rot. Bonds3

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

2-[ethyl(phenyl)phosphoryl]propan-2-ol (PubChem CID 789342) has the molecular formula C11H17O2P and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-[ethyl(phenyl)phosphoryl]propan-2-ol.

Molecular Properties

Compound Name2-[ethyl(phenyl)phosphoryl]propan-2-ol
PubChem CID789342
Molecular FormulaC11H17O2P
Molecular Weight212.23 g/mol
Exact Mass212.10
IUPAC Name2-[ethyl(phenyl)phosphoryl]propan-2-ol
SMILESCCP(=O)(c1ccccc1)C(C)(C)O
InChIInChI=1S/C11H17O2P/c1-4-14(13,11(2,3)12)10-8-6-5-7-9-10/h5-9,12H,4H2,1-3H3
InChIKeyFLJRJXXROFBZNS-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[ethyl(phenyl)phosphoryl]propan-2-ol?
The IUPAC name of 2-[ethyl(phenyl)phosphoryl]propan-2-ol (CID 789342) is 2-[ethyl(phenyl)phosphoryl]propan-2-ol.
What is the SMILES notation for 2-[ethyl(phenyl)phosphoryl]propan-2-ol?
The canonical SMILES for 2-[ethyl(phenyl)phosphoryl]propan-2-ol is CCP(=O)(c1ccccc1)C(C)(C)O.
What is the InChIKey of 2-[ethyl(phenyl)phosphoryl]propan-2-ol?
The InChIKey is FLJRJXXROFBZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2P/c1-4-14(13,11(2,3)12)10-8-6-5-7-9-10/h5-9,12H,4H2,1-3H3.
What are the key properties of 2-[ethyl(phenyl)phosphoryl]propan-2-ol?
2-[ethyl(phenyl)phosphoryl]propan-2-ol has a molecular weight of 212.23 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(phenyl)phosphoryl]propan-2-ol is sourced from PubChem (CID 789342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).