2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol

C28H28BrOP — CID 134976890

IUPAC2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol
SMILESCC(C)(C(O)c1ccccc1)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28BrOP/c1-28(2,27(30)23-15-7-3-8-16-23)31(29,24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27,30H,1-2H3
InChIKeyHVLMUNUSURXAQP-UHFFFAOYSA-N
MW491.41 g/mol
LogP6.34
Rot. Bonds6

About 2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol

2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol (PubChem CID 134976890) has the molecular formula C28H28BrOP and a molecular weight of 491.41 g/mol. Its IUPAC name is 2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol
PubChem CID134976890
Molecular FormulaC28H28BrOP
Molecular Weight491.41 g/mol
Exact Mass490.11
IUPAC Name2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol
SMILESCC(C)(C(O)c1ccccc1)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28BrOP/c1-28(2,27(30)23-15-7-3-8-16-23)31(29,24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27,30H,1-2H3
InChIKeyHVLMUNUSURXAQP-UHFFFAOYSA-N
XLogP6.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.41
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol 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

(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
(1R,2S)-2,3,3-trimethyl-1-phenylbutane-1,2-diol
CID 10774737
(1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol
CID 13214001
1-(4-bromophenyl)-2-methylpropane-1,2-diol;2-methyl-1-phenylpropane-1,2-diol
CID 160734659
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
(1S,2R)-2,3-dimethyl-1-phenylbut-3-ene-1,2-diol
CID 101475003
3,3-dimethyl-4-phenylbutane-1,2,4-triol
CID 132576079
3,4-dihydroxy-3-methyl-4-phenylbutan-2-one
CID 15758929
2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol
CID 14023061
(2S,3S)-2-amino-3-hydroxy-2-methyl-3-phenylpropanamide
CID 11424108
3,3-dimethoxy-2-methyl-1-phenylpropane-1,2-diol
CID 85272252

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol (CID 134976890) is 2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol is CC(C)(C(O)c1ccccc1)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol?
The InChIKey is HVLMUNUSURXAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28BrOP/c1-28(2,27(30)23-15-7-3-8-16-23)31(29,24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27,30H,1-2H3.
What are the key properties of 2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol?
2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol has a molecular weight of 491.41 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 134976890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).