(1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol

C13H19OPSe — CID 12590783

IUPAC(1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol
SMILESC[C@@H]1C[P@](=[Se])(c2ccccc2)[C@H](C)C[C@H]1O
InChIInChI=1S/C13H19OPSe/c1-10-9-15(16,11(2)8-13(10)14)12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3/t10-,11-,13-,15-/m1/s1
InChIKeyDWVRDKPYIKYMTO-NLRBGTRBSA-N
MW301.23 g/mol
LogP2.20
Rot. Bonds1

About (1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol

(1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol (PubChem CID 12590783) has the molecular formula C13H19OPSe and a molecular weight of 301.23 g/mol. Its IUPAC name is (1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol.

Molecular Properties

Compound Name(1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol
PubChem CID12590783
Molecular FormulaC13H19OPSe
Molecular Weight301.23 g/mol
Exact Mass302.03
IUPAC Name(1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol
SMILESC[C@@H]1C[P@](=[Se])(c2ccccc2)[C@H](C)C[C@H]1O
InChIInChI=1S/C13H19OPSe/c1-10-9-15(16,11(2)8-13(10)14)12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3/t10-,11-,13-,15-/m1/s1
InChIKeyDWVRDKPYIKYMTO-NLRBGTRBSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate
CID 25240773
[(1R,2R,4S,5R)-2,5-dimethyl-1-phenyl-1-sulfanylidene-1λ5-phosphinan-4-yl] acetate
CID 23266607
3-bromo-4-methyl-1-phenyl-1λ5-phospholane 1-oxide
CID 102170737
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
2-[(1S,2R)-2-methylcyclopropyl]phenol
CID 176896077
5-benzyl-2-methylcyclohexan-1-ol
CID 174712973
(2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol
CID 130920611
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
CID 131177200
(1R,3R)-1-oxo-1-phenyl-2,3-dihydro-1λ5-phosphol-3-ol
CID 11865274
[(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone
CID 7329928
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide
CID 23454564

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol?
The IUPAC name of (1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol (CID 12590783) is (1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol.
What is the SMILES notation for (1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol?
The canonical SMILES for (1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol is C[C@@H]1C[P@](=[Se])(c2ccccc2)[C@H](C)C[C@H]1O.
What is the InChIKey of (1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol?
The InChIKey is DWVRDKPYIKYMTO-NLRBGTRBSA-N. The full InChI is InChI=1S/C13H19OPSe/c1-10-9-15(16,11(2)8-13(10)14)12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3/t10-,11-,13-,15-/m1/s1.
What are the key properties of (1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol?
(1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol has a molecular weight of 301.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,5S)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-ol is sourced from PubChem (CID 12590783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).