1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol

C25H27O2P — CID 10938003

IUPAC1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol
SMILESC[C@@H](c1ccccc1)[C@H](C1(O)CCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27O2P/c1-20(21-12-5-2-6-13-21)24(25(26)18-11-19-25)28(27,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17,20,24,26H,11,18-19H2,1H3/t20-,24+/m0/s1
InChIKeyOVPVXMCZMIRARN-GBXCKJPGSA-N
MW390.46 g/mol
LogP5.09
Rot. Bonds6

About 1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol

1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol (PubChem CID 10938003) has the molecular formula C25H27O2P and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol
PubChem CID10938003
Molecular FormulaC25H27O2P
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol
SMILESC[C@@H](c1ccccc1)[C@H](C1(O)CCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27O2P/c1-20(21-12-5-2-6-13-21)24(25(26)18-11-19-25)28(27,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17,20,24,26H,11,18-19H2,1H3/t20-,24+/m0/s1
InChIKeyOVPVXMCZMIRARN-GBXCKJPGSA-N
XLogP5.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol?
The IUPAC name of 1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol (CID 10938003) is 1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol is C[C@@H](c1ccccc1)[C@H](C1(O)CCC1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol?
The InChIKey is OVPVXMCZMIRARN-GBXCKJPGSA-N. The full InChI is InChI=1S/C25H27O2P/c1-20(21-12-5-2-6-13-21)24(25(26)18-11-19-25)28(27,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17,20,24,26H,11,18-19H2,1H3/t20-,24+/m0/s1.
What are the key properties of 1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol?
1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol has a molecular weight of 390.46 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol is sourced from PubChem (CID 10938003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).