(2S)-1-diphenylphosphanylpropan-2-ol

C15H17OP — CID 796909

IUPAC(2S)-1-diphenylphosphanylpropan-2-ol
SMILESC[C@H](O)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17OP/c1-13(16)12-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-/m0/s1
InChIKeyKPFUSZACLUJQBK-ZDUSSCGKSA-N
MW244.27 g/mol
LogP2.50
Rot. Bonds4

About (2S)-1-diphenylphosphanylpropan-2-ol

(2S)-1-diphenylphosphanylpropan-2-ol (PubChem CID 796909) has the molecular formula C15H17OP and a molecular weight of 244.27 g/mol. Its IUPAC name is (2S)-1-diphenylphosphanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-diphenylphosphanylpropan-2-ol
PubChem CID796909
Molecular FormulaC15H17OP
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name(2S)-1-diphenylphosphanylpropan-2-ol
SMILESC[C@H](O)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17OP/c1-13(16)12-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-/m0/s1
InChIKeyKPFUSZACLUJQBK-ZDUSSCGKSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-diphenylphosphanylpropan-2-ol?
The IUPAC name of (2S)-1-diphenylphosphanylpropan-2-ol (CID 796909) is (2S)-1-diphenylphosphanylpropan-2-ol.
What is the SMILES notation for (2S)-1-diphenylphosphanylpropan-2-ol?
The canonical SMILES for (2S)-1-diphenylphosphanylpropan-2-ol is C[C@H](O)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-diphenylphosphanylpropan-2-ol?
The InChIKey is KPFUSZACLUJQBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17OP/c1-13(16)12-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-diphenylphosphanylpropan-2-ol?
(2S)-1-diphenylphosphanylpropan-2-ol has a molecular weight of 244.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-diphenylphosphanylpropan-2-ol is sourced from PubChem (CID 796909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).