(2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol

C13H21O2P — CID 102355280

IUPAC(2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol
SMILESC[C@H](O)C[P@@](=O)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C13H21O2P/c1-11(14)10-16(15,13(2,3)4)12-8-6-5-7-9-12/h5-9,11,14H,10H2,1-4H3/t11-,16+/m0/s1
InChIKeyCPACKWMQVIHWTH-MEDUHNTESA-N
MW240.28 g/mol
LogP2.85
Rot. Bonds3

About (2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol

(2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol (PubChem CID 102355280) has the molecular formula C13H21O2P and a molecular weight of 240.28 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol
PubChem CID102355280
Molecular FormulaC13H21O2P
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name(2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol
SMILESC[C@H](O)C[P@@](=O)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C13H21O2P/c1-11(14)10-16(15,13(2,3)4)12-8-6-5-7-9-12/h5-9,11,14H,10H2,1-4H3/t11-,16+/m0/s1
InChIKeyCPACKWMQVIHWTH-MEDUHNTESA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.85
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

[tert-butyl(phenyl)phosphoryl]methylbenzene
CID 10612241
2-methylpropyl(phenyl)phosphinic acid
CID 793404
(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol
CID 10522910
2-[tert-butyl(phenyl)phosphoryl]phenol
CID 127258156
[tert-butyl(methyl)phosphoryl]benzene
CID 12568654
[tert-butyl(methyl)phosphoryl]benzene
CID 12568653
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
[3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene
CID 12869475
[tert-butyl(propan-2-yloxy)phosphoryl]benzene
CID 57270314
[(4-diphenylphosphoryloxy-3,3-dimethylpentan-2-yl)oxy-phenylphosphoryl]benzene
CID 90416172
2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol
CID 13048791
4-diphenylphosphoryl-3-methylbutan-2-one
CID 13202522

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol (CID 102355280) is (2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol is C[C@H](O)C[P@@](=O)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol?
The InChIKey is CPACKWMQVIHWTH-MEDUHNTESA-N. The full InChI is InChI=1S/C13H21O2P/c1-11(14)10-16(15,13(2,3)4)12-8-6-5-7-9-12/h5-9,11,14H,10H2,1-4H3/t11-,16+/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol?
(2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol has a molecular weight of 240.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol is sourced from PubChem (CID 102355280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).