[(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane

C21H19P — CID 10968687

IUPAC[(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane
SMILES[2H]/C(=C(\C)P(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19P/c1-18(17-19-11-5-2-6-12-19)22(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3/b18-17-/i17D
InChIKeyUJYYNNQPONHXAT-UVDZYWATSA-N
MW303.36 g/mol
LogP5.18
Rot. Bonds4

About [(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane

[(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane (PubChem CID 10968687) has the molecular formula C21H19P and a molecular weight of 303.36 g/mol. Its IUPAC name is [(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane
PubChem CID10968687
Molecular FormulaC21H19P
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name[(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane
SMILES[2H]/C(=C(\C)P(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19P/c1-18(17-19-11-5-2-6-12-19)22(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3/b18-17-/i17D
InChIKeyUJYYNNQPONHXAT-UVDZYWATSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.36
LogP ≤ 55.18
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 [(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane?
The IUPAC name of [(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane (CID 10968687) is [(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane.
What is the SMILES notation for [(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane?
The canonical SMILES for [(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane is [2H]/C(=C(\C)P(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane?
The InChIKey is UJYYNNQPONHXAT-UVDZYWATSA-N. The full InChI is InChI=1S/C21H19P/c1-18(17-19-11-5-2-6-12-19)22(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3/b18-17-/i17D.
What are the key properties of [(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane?
[(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane has a molecular weight of 303.36 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-deuterio-1-phenylprop-1-en-2-yl]-diphenylphosphane is sourced from PubChem (CID 10968687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).