(1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane

C22H37P — CID 164685833

IUPAC(1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane
SMILESCC[C@H]1C[P@@]1c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C22H37P/c1-11-16-14-23(16)19-17(21(5,6)7)12-15(20(2,3)4)13-18(19)22(8,9)10/h12-13,16H,11,14H2,1-10H3/t16-,23+/m0/s1
InChIKeyHOSZGMBVSQTKPY-QMHKHESXSA-N
MW332.51 g/mol
LogP6.48
Rot. Bonds2

About (1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane

(1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane (PubChem CID 164685833) has the molecular formula C22H37P and a molecular weight of 332.51 g/mol. Its IUPAC name is (1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane.

Molecular Properties

Compound Name(1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane
PubChem CID164685833
Molecular FormulaC22H37P
Molecular Weight332.51 g/mol
Exact Mass332.26
IUPAC Name(1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane
SMILESCC[C@H]1C[P@@]1c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C22H37P/c1-11-16-14-23(16)19-17(21(5,6)7)12-15(20(2,3)4)13-18(19)22(8,9)10/h12-13,16H,11,14H2,1-10H3/t16-,23+/m0/s1
InChIKeyHOSZGMBVSQTKPY-QMHKHESXSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.51
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2,3,4,5,6-pentafluorophenyl)-pyridin-1-ium-1-yl-[2-[(1R,2R)-1-(2,4,6-tritert-butylphenyl)phosphiran-2-yl]ethyl]boranuide
CID 139041967
1-tert-butyl-2-ethylphosphirane
CID 13063134
1,2,3,5-tetratert-butylbenzene
CID 18679123
1,3,7,9-tetratert-butyl-11-chloro-5-ethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 126590693
2,4-ditert-butyl-6-(diethylamino)phenol
CID 90717515
2,4-ditert-butyl-6-(dimethylamino)phenol
CID 14270373
propyl-(2,4,6-tritert-butylphenyl)phosphane
CID 16697508
CID 174137288
CID 174137288
CID 135046337
CID 135046337
1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]propan-1-one
CID 10692275
2-[(R)-amino(cyclopropyl)methyl]-4,6-ditert-butylphenol;hydrochloride
CID 171201914
2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane?
The IUPAC name of (1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane (CID 164685833) is (1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane.
What is the SMILES notation for (1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane?
The canonical SMILES for (1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane is CC[C@H]1C[P@@]1c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of (1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane?
The InChIKey is HOSZGMBVSQTKPY-QMHKHESXSA-N. The full InChI is InChI=1S/C22H37P/c1-11-16-14-23(16)19-17(21(5,6)7)12-15(20(2,3)4)13-18(19)22(8,9)10/h12-13,16H,11,14H2,1-10H3/t16-,23+/m0/s1.
What are the key properties of (1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane?
(1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane has a molecular weight of 332.51 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-ethyl-1-(2,4,6-tritert-butylphenyl)phosphirane is sourced from PubChem (CID 164685833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).