[(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane

C25H27P — CID 134976469

IUPAC[(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane
SMILESc1ccc([C@@H](CC2CCCC2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H27P/c1-4-14-22(15-5-1)25(20-21-12-10-11-13-21)26(23-16-6-2-7-17-23)24-18-8-3-9-19-24/h1-9,14-19,21,25H,10-13,20H2/t25-/m1/s1
InChIKeyKMJIPVWFEOCSEP-RUZDIDTESA-N
MW358.47 g/mol
LogP6.44
Rot. Bonds6

About [(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane

[(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane (PubChem CID 134976469) has the molecular formula C25H27P and a molecular weight of 358.47 g/mol. Its IUPAC name is [(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane.

Molecular Properties

Compound Name[(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane
PubChem CID134976469
Molecular FormulaC25H27P
Molecular Weight358.47 g/mol
Exact Mass358.19
IUPAC Name[(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane
SMILESc1ccc([C@@H](CC2CCCC2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H27P/c1-4-14-22(15-5-1)25(20-21-12-10-11-13-21)26(23-16-6-2-7-17-23)24-18-8-3-9-19-24/h1-9,14-19,21,25H,10-13,20H2/t25-/m1/s1
InChIKeyKMJIPVWFEOCSEP-RUZDIDTESA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane?
The IUPAC name of [(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane (CID 134976469) is [(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane.
What is the SMILES notation for [(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane?
The canonical SMILES for [(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane is c1ccc([C@@H](CC2CCCC2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane?
The InChIKey is KMJIPVWFEOCSEP-RUZDIDTESA-N. The full InChI is InChI=1S/C25H27P/c1-4-14-22(15-5-1)25(20-21-12-10-11-13-21)26(23-16-6-2-7-17-23)24-18-8-3-9-19-24/h1-9,14-19,21,25H,10-13,20H2/t25-/m1/s1.
What are the key properties of [(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane?
[(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane has a molecular weight of 358.47 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane is sourced from PubChem (CID 134976469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).