[4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane

C18H21P — CID 91156362

IUPAC[4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane
SMILESPC=C(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C18H21P/c19-15-18(13-11-16-7-3-1-4-8-16)14-12-17-9-5-2-6-10-17/h1-10,15H,11-14,19H2
InChIKeyDICLHAMCIHPUSQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP5.01
Rot. Bonds6

About [4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane

[4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane (PubChem CID 91156362) has the molecular formula C18H21P and a molecular weight of 268.34 g/mol. Its IUPAC name is [4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane.

Molecular Properties

Compound Name[4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane
PubChem CID91156362
Molecular FormulaC18H21P
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name[4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane
SMILESPC=C(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C18H21P/c19-15-18(13-11-16-7-3-1-4-8-16)14-12-17-9-5-2-6-10-17/h1-10,15H,11-14,19H2
InChIKeyDICLHAMCIHPUSQ-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.34
LogP ≤ 55.01
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 [4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane?
The IUPAC name of [4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane (CID 91156362) is [4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane.
What is the SMILES notation for [4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane?
The canonical SMILES for [4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane is PC=C(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of [4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane?
The InChIKey is DICLHAMCIHPUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21P/c19-15-18(13-11-16-7-3-1-4-8-16)14-12-17-9-5-2-6-10-17/h1-10,15H,11-14,19H2.
What are the key properties of [4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane?
[4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane has a molecular weight of 268.34 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-2-(2-phenylethyl)but-1-enyl]phosphane is sourced from PubChem (CID 91156362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).