(1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol

C27H26NOP — CID 101362982

IUPAC(1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol
SMILESC[C@H]([C@@H](O)c1ccccc1)P(=Nc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26NOP/c1-22(27(29)23-14-6-2-7-15-23)30(25-18-10-4-11-19-25,26-20-12-5-13-21-26)28-24-16-8-3-9-17-24/h2-22,27,29H,1H3/t22-,27-/m1/s1
InChIKeyYUOIGEQKALDTJY-AJTFRIOCSA-N
MW411.49 g/mol
LogP6.29
Rot. Bonds6

About (1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol

(1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol (PubChem CID 101362982) has the molecular formula C27H26NOP and a molecular weight of 411.49 g/mol. Its IUPAC name is (1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol
PubChem CID101362982
Molecular FormulaC27H26NOP
Molecular Weight411.49 g/mol
Exact Mass411.18
IUPAC Name(1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol
SMILESC[C@H]([C@@H](O)c1ccccc1)P(=Nc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26NOP/c1-22(27(29)23-14-6-2-7-15-23)30(25-18-10-4-11-19-25,26-20-12-5-13-21-26)28-24-16-8-3-9-17-24/h2-22,27,29H,1H3/t22-,27-/m1/s1
InChIKeyYUOIGEQKALDTJY-AJTFRIOCSA-N
XLogP6.29
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate
CID 101093599
diphenyl-phenylimino-propan-2-yl-lambda5-phosphane
CID 13452466
1,2-diphenylethane-1,2-diol
CID 159073808
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
(1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
CID 71349785
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol (CID 101362982) is (1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol is C[C@H]([C@@H](O)c1ccccc1)P(=Nc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol?
The InChIKey is YUOIGEQKALDTJY-AJTFRIOCSA-N. The full InChI is InChI=1S/C27H26NOP/c1-22(27(29)23-14-6-2-7-15-23)30(25-18-10-4-11-19-25,26-20-12-5-13-21-26)28-24-16-8-3-9-17-24/h2-22,27,29H,1H3/t22-,27-/m1/s1.
What are the key properties of (1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol?
(1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol has a molecular weight of 411.49 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol is sourced from PubChem (CID 101362982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).