1,1,2-triphenylbutylphosphane

C22H23P — CID 19027387

IUPAC1,1,2-triphenylbutylphosphane
SMILESCCC(c1ccccc1)C(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23P/c1-2-21(18-12-6-3-7-13-18)22(23,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,2,23H2,1H3
InChIKeyJDPUAYIPGLJOCJ-UHFFFAOYSA-N
MW318.40 g/mol
LogP6.00
Rot. Bonds5

About 1,1,2-triphenylbutylphosphane

1,1,2-triphenylbutylphosphane (PubChem CID 19027387) has the molecular formula C22H23P and a molecular weight of 318.40 g/mol. Its IUPAC name is 1,1,2-triphenylbutylphosphane.

Molecular Properties

Compound Name1,1,2-triphenylbutylphosphane
PubChem CID19027387
Molecular FormulaC22H23P
Molecular Weight318.40 g/mol
Exact Mass318.15
IUPAC Name1,1,2-triphenylbutylphosphane
SMILESCCC(c1ccccc1)C(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23P/c1-2-21(18-12-6-3-7-13-18)22(23,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,2,23H2,1H3
InChIKeyJDPUAYIPGLJOCJ-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 56.00
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

1,1,2-triphenylhexadecylphosphane;hydrochloride
CID 118389380
(4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene
CID 139239654
(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
CID 139051380
(1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol
CID 139051359
2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol
CID 150256890
(2,2-dimethyl-1-phenylpentan-3-yl)benzene
CID 90849457
4,4,5,5,6,6,6-heptafluorohexan-3-ylbenzene
CID 174807736
sodium;hydride;1,1,2-triphenylbutoxyboronic acid
CID 173273696
2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132567785
1,1,3,3-tetraphenyl-1,3-bis(phosphanyl)propan-2-amine
CID 18692483
1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol
CID 20558061
dioxido(1,1,2-triphenylbutoxy)borane;bis(tetraethylazanium)
CID 67933329

Frequently Asked Questions

What is the IUPAC name of 1,1,2-triphenylbutylphosphane?
The IUPAC name of 1,1,2-triphenylbutylphosphane (CID 19027387) is 1,1,2-triphenylbutylphosphane.
What is the SMILES notation for 1,1,2-triphenylbutylphosphane?
The canonical SMILES for 1,1,2-triphenylbutylphosphane is CCC(c1ccccc1)C(P)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,2-triphenylbutylphosphane?
The InChIKey is JDPUAYIPGLJOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23P/c1-2-21(18-12-6-3-7-13-18)22(23,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,2,23H2,1H3.
What are the key properties of 1,1,2-triphenylbutylphosphane?
1,1,2-triphenylbutylphosphane has a molecular weight of 318.40 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triphenylbutylphosphane is sourced from PubChem (CID 19027387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).