(2S)-3-diphenylphosphanyl-2-methylpropan-1-ol

C16H19OP — CID 101090022

IUPAC(2S)-3-diphenylphosphanyl-2-methylpropan-1-ol
SMILESC[C@@H](CO)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19OP/c1-14(12-17)13-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/t14-/m0/s1
InChIKeyGCFPLWLREOHCKX-AWEZNQCLSA-N
MW258.30 g/mol
LogP2.75
Rot. Bonds5

About (2S)-3-diphenylphosphanyl-2-methylpropan-1-ol

(2S)-3-diphenylphosphanyl-2-methylpropan-1-ol (PubChem CID 101090022) has the molecular formula C16H19OP and a molecular weight of 258.30 g/mol. Its IUPAC name is (2S)-3-diphenylphosphanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-diphenylphosphanyl-2-methylpropan-1-ol
PubChem CID101090022
Molecular FormulaC16H19OP
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name(2S)-3-diphenylphosphanyl-2-methylpropan-1-ol
SMILESC[C@@H](CO)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19OP/c1-14(12-17)13-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/t14-/m0/s1
InChIKeyGCFPLWLREOHCKX-AWEZNQCLSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,3-bis(diphenylphosphanyl)propan-1-ol
CID 12914091
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
(2S)-1-diphenylphosphanyl-3-methylbutan-2-amine
CID 15145880
2-methoxypropyl(diphenyl)phosphane
CID 23413688
[(2S)-2-methoxypropyl]-diphenylphosphane
CID 10658854
CID 25267224
CID 25267224
(2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine
CID 101430602
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
CID 13086823
CID 13086823
bis(hydroxymethyl)-methyl-phenylphosphanium
CID 3061532
(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-amine
CID 10731871

Frequently Asked Questions

What is the IUPAC name of (2S)-3-diphenylphosphanyl-2-methylpropan-1-ol?
The IUPAC name of (2S)-3-diphenylphosphanyl-2-methylpropan-1-ol (CID 101090022) is (2S)-3-diphenylphosphanyl-2-methylpropan-1-ol.
What is the SMILES notation for (2S)-3-diphenylphosphanyl-2-methylpropan-1-ol?
The canonical SMILES for (2S)-3-diphenylphosphanyl-2-methylpropan-1-ol is C[C@@H](CO)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-3-diphenylphosphanyl-2-methylpropan-1-ol?
The InChIKey is GCFPLWLREOHCKX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19OP/c1-14(12-17)13-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-3-diphenylphosphanyl-2-methylpropan-1-ol?
(2S)-3-diphenylphosphanyl-2-methylpropan-1-ol has a molecular weight of 258.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-diphenylphosphanyl-2-methylpropan-1-ol is sourced from PubChem (CID 101090022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).