(2R)-2,3-bis(diphenylphosphanyl)propan-1-ol

C27H26OP2 — CID 12914091

IUPAC(2R)-2,3-bis(diphenylphosphanyl)propan-1-ol
SMILESOC[C@H](CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26OP2/c28-21-27(30(25-17-9-3-10-18-25)26-19-11-4-12-20-26)22-29(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27-28H,21-22H2/t27-/m1/s1
InChIKeyMRXYLGALHAKITQ-HHHXNRCGSA-N
MW428.45 g/mol
LogP4.61
Rot. Bonds8

About (2R)-2,3-bis(diphenylphosphanyl)propan-1-ol

(2R)-2,3-bis(diphenylphosphanyl)propan-1-ol (PubChem CID 12914091) has the molecular formula C27H26OP2 and a molecular weight of 428.45 g/mol. Its IUPAC name is (2R)-2,3-bis(diphenylphosphanyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2,3-bis(diphenylphosphanyl)propan-1-ol
PubChem CID12914091
Molecular FormulaC27H26OP2
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name(2R)-2,3-bis(diphenylphosphanyl)propan-1-ol
SMILESOC[C@H](CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26OP2/c28-21-27(30(25-17-9-3-10-18-25)26-19-11-4-12-20-26)22-29(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27-28H,21-22H2/t27-/m1/s1
InChIKeyMRXYLGALHAKITQ-HHHXNRCGSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.61
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 (2R)-2,3-bis(diphenylphosphanyl)propan-1-ol?
The IUPAC name of (2R)-2,3-bis(diphenylphosphanyl)propan-1-ol (CID 12914091) is (2R)-2,3-bis(diphenylphosphanyl)propan-1-ol.
What is the SMILES notation for (2R)-2,3-bis(diphenylphosphanyl)propan-1-ol?
The canonical SMILES for (2R)-2,3-bis(diphenylphosphanyl)propan-1-ol is OC[C@H](CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2,3-bis(diphenylphosphanyl)propan-1-ol?
The InChIKey is MRXYLGALHAKITQ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H26OP2/c28-21-27(30(25-17-9-3-10-18-25)26-19-11-4-12-20-26)22-29(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27-28H,21-22H2/t27-/m1/s1.
What are the key properties of (2R)-2,3-bis(diphenylphosphanyl)propan-1-ol?
(2R)-2,3-bis(diphenylphosphanyl)propan-1-ol has a molecular weight of 428.45 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-bis(diphenylphosphanyl)propan-1-ol is sourced from PubChem (CID 12914091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).