(1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol

C13H20NO2P — CID 155141516

IUPAC(1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESCP(=O)(C[C@@H](O)[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C13H20NO2P/c1-17(16,11-6-3-2-4-7-11)10-13(15)12-8-5-9-14-12/h2-4,6-7,12-15H,5,8-10H2,1H3/t12-,13+,17?/m0/s1
InChIKeyISVONYSUHZQFLS-YORJJWTOSA-N
MW253.28 g/mol
LogP1.42
Rot. Bonds4

About (1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol

(1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol (PubChem CID 155141516) has the molecular formula C13H20NO2P and a molecular weight of 253.28 g/mol. Its IUPAC name is (1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol
PubChem CID155141516
Molecular FormulaC13H20NO2P
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name(1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESCP(=O)(C[C@@H](O)[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C13H20NO2P/c1-17(16,11-6-3-2-4-7-11)10-13(15)12-8-5-9-14-12/h2-4,6-7,12-15H,5,8-10H2,1H3/t12-,13+,17?/m0/s1
InChIKeyISVONYSUHZQFLS-YORJJWTOSA-N
XLogP1.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphoryl-1-pyrrolidin-2-ylethanol
CID 155698696
2,2-diphenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 118229705
2,2-diphenyl-1-pyrrolidin-2-ylethanol
CID 69294076
2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 68647594
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
(1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol
CID 155010585
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
benzyl (2S)-2-hydroxy-2-[(2S)-pyrrolidin-2-yl]ethanesulfonate
CID 155141546
(1R)-2-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485490
(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485657
(S)-benzenesulfonyl-[(2R)-pyrrolidin-2-yl]methanol;(R)-benzenesulfonyl-[(2S)-pyrrolidin-2-yl]methanol
CID 165053495
(1S,2S,3S)-3-amino-4-phenyl-1-[(2S)-pyrrolidin-2-yl]butane-1,2-diol
CID 58964092

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol (CID 155141516) is (1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol is CP(=O)(C[C@@H](O)[C@@H]1CCCN1)c1ccccc1.
What is the InChIKey of (1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol?
The InChIKey is ISVONYSUHZQFLS-YORJJWTOSA-N. The full InChI is InChI=1S/C13H20NO2P/c1-17(16,11-6-3-2-4-7-11)10-13(15)12-8-5-9-14-12/h2-4,6-7,12-15H,5,8-10H2,1H3/t12-,13+,17?/m0/s1.
What are the key properties of (1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol?
(1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol has a molecular weight of 253.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[methyl(phenyl)phosphoryl]-1-[(2S)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 155141516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).