4,4-diphenylbut-1-enylphosphane

C16H17P — CID 154147270

IUPAC4,4-diphenylbut-1-enylphosphane
SMILESPC=CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17P/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-11,13,16H,12,17H2
InChIKeyNDBHAFLBOZVJDK-UHFFFAOYSA-N
MW240.29 g/mol
LogP4.60
Rot. Bonds4

About 4,4-diphenylbut-1-enylphosphane

4,4-diphenylbut-1-enylphosphane (PubChem CID 154147270) has the molecular formula C16H17P and a molecular weight of 240.29 g/mol. Its IUPAC name is 4,4-diphenylbut-1-enylphosphane.

Molecular Properties

Compound Name4,4-diphenylbut-1-enylphosphane
PubChem CID154147270
Molecular FormulaC16H17P
Molecular Weight240.29 g/mol
Exact Mass240.11
IUPAC Name4,4-diphenylbut-1-enylphosphane
SMILESPC=CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17P/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-11,13,16H,12,17H2
InChIKeyNDBHAFLBOZVJDK-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-diphenylpropylidene)hydroxylamine
CID 174472978
CID 140568629
CID 140568629
1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
CID 174294452
[(E)-1,4-difluorobut-3-enyl]benzene
CID 132568387
(E,4S)-4-phenylhex-1-ene-1,6-diol
CID 134423361
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
diphenylmethanolate
CID 57466266
1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
CID 174351857
(E,1S)-4-fluoro-1-phenylbut-3-en-1-ol
CID 124567652
(E)-2-phenylpent-3-en-1-amine
CID 131236812
(E)-4-chloro-1-phenylbut-3-en-1-ol
CID 11240835
3,3-diphenylpropyl-[4-(3,3-diphenylpropylphosphanyl)but-2-enyl]phosphane
CID 173230104

Frequently Asked Questions

What is the IUPAC name of 4,4-diphenylbut-1-enylphosphane?
The IUPAC name of 4,4-diphenylbut-1-enylphosphane (CID 154147270) is 4,4-diphenylbut-1-enylphosphane.
What is the SMILES notation for 4,4-diphenylbut-1-enylphosphane?
The canonical SMILES for 4,4-diphenylbut-1-enylphosphane is PC=CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-diphenylbut-1-enylphosphane?
The InChIKey is NDBHAFLBOZVJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17P/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-11,13,16H,12,17H2.
What are the key properties of 4,4-diphenylbut-1-enylphosphane?
4,4-diphenylbut-1-enylphosphane has a molecular weight of 240.29 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenylbut-1-enylphosphane is sourced from PubChem (CID 154147270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).