[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane

C19H19P — CID 129111578

IUPAC[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane
SMILESC1=C[C@@H]2C[C@H]1C[C@H]2P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19P/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)19-14-15-11-12-16(19)13-15/h1-12,15-16,19H,13-14H2/t15-,16+,19+/m0/s1
InChIKeyOVAVIAQUJRQCNE-FRQCXROJSA-N
MW278.34 g/mol
LogP4.08
Rot. Bonds3

About [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane

[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane (PubChem CID 129111578) has the molecular formula C19H19P and a molecular weight of 278.34 g/mol. Its IUPAC name is [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane.

Molecular Properties

Compound Name[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane
PubChem CID129111578
Molecular FormulaC19H19P
Molecular Weight278.34 g/mol
Exact Mass278.12
IUPAC Name[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane
SMILESC1=C[C@@H]2C[C@H]1C[C@H]2P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19P/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)19-14-15-11-12-16(19)13-15/h1-12,15-16,19H,13-14H2/t15-,16+,19+/m0/s1
InChIKeyOVAVIAQUJRQCNE-FRQCXROJSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4R)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane
CID 88878262
[4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane
CID 101233300
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
(1S,4R,5S)-5-phenylbicyclo[2.2.1]hept-2-ene
CID 98052947
(1S,4S,5R)-5-phenylsulfanylbicyclo[2.2.1]hept-2-ene
CID 102096548
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-diphenylphosphane
CID 102055643
[(2R)-2-[(1R)-2-diphenylphosphanylcyclopentyl]cyclopentyl]-diphenylphosphane
CID 15361438
[(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane
CID 102464791
[(1R,2S,4R)-5,6-dimethyl-7-phenyl-7-sulfido-7-phosphoniabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane
CID 101214768
2-bicyclo[2.2.1]hept-5-enyl-dimethyl-phenylsilane
CID 23499933
2-diphenylphosphanylcyclohexan-1-ol
CID 15198683
diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane
CID 10177686

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane?
The IUPAC name of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane (CID 129111578) is [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane.
What is the SMILES notation for [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane?
The canonical SMILES for [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane is C1=C[C@@H]2C[C@H]1C[C@H]2P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane?
The InChIKey is OVAVIAQUJRQCNE-FRQCXROJSA-N. The full InChI is InChI=1S/C19H19P/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)19-14-15-11-12-16(19)13-15/h1-12,15-16,19H,13-14H2/t15-,16+,19+/m0/s1.
What are the key properties of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane?
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane has a molecular weight of 278.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane is sourced from PubChem (CID 129111578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).