[(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol

C19H24NO4P — CID 10642322

IUPAC[(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol
SMILESCOP(=O)(OC)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO4P/c1-23-25(22,24-2)20-15-9-14-18(20)19(21,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18,21H,9,14-15H2,1-2H3/t18-/m0/s1
InChIKeyATULOANARFGKDE-SFHVURJKSA-N
MW361.38 g/mol
LogP3.79
Rot. Bonds6

About [(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol

[(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol (PubChem CID 10642322) has the molecular formula C19H24NO4P and a molecular weight of 361.38 g/mol. Its IUPAC name is [(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol
PubChem CID10642322
Molecular FormulaC19H24NO4P
Molecular Weight361.38 g/mol
Exact Mass361.14
IUPAC Name[(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol
SMILESCOP(=O)(OC)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO4P/c1-23-25(22,24-2)20-15-9-14-18(20)19(21,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18,21H,9,14-15H2,1-2H3/t18-/m0/s1
InChIKeyATULOANARFGKDE-SFHVURJKSA-N
XLogP3.79
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 3615185
1-dimethoxyphosphoryl-2-phenylpiperidine
CID 91096563
(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid
CID 71426341
[(2S)-1-methylaziridin-2-yl]-diphenylmethanol
CID 101268186
3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-4-piperidin-1-ylcyclobut-3-ene-1,2-dione
CID 102304812
1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 166414441
diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol
CID 165347320
ethyl (E)-3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-enoate
CID 139095804
3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide
CID 126842090
benzyl (2S)-2-(dimethoxyphosphorylmethyl)pyrrolidine-1-carboxylate
CID 10592285
[(2R)-1-benzylazetidin-2-yl]-diphenylmethanol
CID 12035662
(2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile
CID 71613979

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol?
The IUPAC name of [(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol (CID 10642322) is [(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol?
The canonical SMILES for [(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol is COP(=O)(OC)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol?
The InChIKey is ATULOANARFGKDE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24NO4P/c1-23-25(22,24-2)20-15-9-14-18(20)19(21,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18,21H,9,14-15H2,1-2H3/t18-/m0/s1.
What are the key properties of [(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol?
[(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol has a molecular weight of 361.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol is sourced from PubChem (CID 10642322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).