2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol

C12H17O2P — CID 59127796

IUPAC2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol
SMILESO=P1(c2ccccc2)CCC[C@@H]1CCO
InChIInChI=1S/C12H17O2P/c13-9-8-12-7-4-10-15(12,14)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2/t12-,15?/m1/s1
InChIKeyNQVRTTUTSTZTHQ-KEKZHRQWSA-N
MW224.24 g/mol
LogP2.22
Rot. Bonds3

About 2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol

2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol (PubChem CID 59127796) has the molecular formula C12H17O2P and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol
PubChem CID59127796
Molecular FormulaC12H17O2P
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol
SMILESO=P1(c2ccccc2)CCC[C@@H]1CCO
InChIInChI=1S/C12H17O2P/c13-9-8-12-7-4-10-15(12,14)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2/t12-,15?/m1/s1
InChIKeyNQVRTTUTSTZTHQ-KEKZHRQWSA-N
XLogP2.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 52.22
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-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol (CID 59127796) is 2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol is O=P1(c2ccccc2)CCC[C@@H]1CCO.
What is the InChIKey of 2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol?
The InChIKey is NQVRTTUTSTZTHQ-KEKZHRQWSA-N. The full InChI is InChI=1S/C12H17O2P/c13-9-8-12-7-4-10-15(12,14)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2/t12-,15?/m1/s1.
What are the key properties of 2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol?
2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol has a molecular weight of 224.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol is sourced from PubChem (CID 59127796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).