(1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol

C27H26BrOP — CID 13214001

IUPAC(1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol
SMILESC[C@H]([C@H](O)c1ccccc1)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26BrOP/c1-22(27(29)23-14-6-2-7-15-23)30(28,24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,27,29H,1H3/t22-,27+/m1/s1
InChIKeyRNMNWYSPIWKRHZ-AMGIVPHBSA-N
MW477.38 g/mol
LogP5.95
Rot. Bonds6

About (1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol

(1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol (PubChem CID 13214001) has the molecular formula C27H26BrOP and a molecular weight of 477.38 g/mol. Its IUPAC name is (1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol
PubChem CID13214001
Molecular FormulaC27H26BrOP
Molecular Weight477.38 g/mol
Exact Mass476.09
IUPAC Name(1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol
SMILESC[C@H]([C@H](O)c1ccccc1)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26BrOP/c1-22(27(29)23-14-6-2-7-15-23)30(28,24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,27,29H,1H3/t22-,27+/m1/s1
InChIKeyRNMNWYSPIWKRHZ-AMGIVPHBSA-N
XLogP5.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.38
LogP ≤ 55.95
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

bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane
CID 14002017
1,2-diphenylethane-1,2-diol
CID 159073808
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
(1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
CID 71349785
2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol
CID 134976890
(1S)-1-phenylethanol
CID 157125626
benzene;2-phenylethane-1,1,2-triol
CID 174439943
[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
CID 6922967
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium
CID 7059595

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol (CID 13214001) is (1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol is C[C@H]([C@H](O)c1ccccc1)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol?
The InChIKey is RNMNWYSPIWKRHZ-AMGIVPHBSA-N. The full InChI is InChI=1S/C27H26BrOP/c1-22(27(29)23-14-6-2-7-15-23)30(28,24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22,27,29H,1H3/t22-,27+/m1/s1.
What are the key properties of (1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol?
(1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol has a molecular weight of 477.38 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol is sourced from PubChem (CID 13214001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).