(2,3-dibutylphenyl)phosphane

C14H23P — CID 19901991

IUPAC(2,3-dibutylphenyl)phosphane
SMILESCCCCc1cccc(P)c1CCCC
InChIInChI=1S/C14H23P/c1-3-5-8-12-9-7-11-14(15)13(12)10-6-4-2/h7,9,11H,3-6,8,10,15H2,1-2H3
InChIKeyIWQYEANTIFXULT-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.87
Rot. Bonds6

About (2,3-dibutylphenyl)phosphane

(2,3-dibutylphenyl)phosphane (PubChem CID 19901991) has the molecular formula C14H23P and a molecular weight of 222.31 g/mol. Its IUPAC name is (2,3-dibutylphenyl)phosphane.

Molecular Properties

Compound Name(2,3-dibutylphenyl)phosphane
PubChem CID19901991
Molecular FormulaC14H23P
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name(2,3-dibutylphenyl)phosphane
SMILESCCCCc1cccc(P)c1CCCC
InChIInChI=1S/C14H23P/c1-3-5-8-12-9-7-11-14(15)13(12)10-6-4-2/h7,9,11H,3-6,8,10,15H2,1-2H3
InChIKeyIWQYEANTIFXULT-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.87
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

1,2,3-tributylbenzene;hydrate
CID 172716323
1,2,3,4-tetrabutylbenzene
CID 11220391
(2,3-dibutylphenyl)methylphosphane
CID 21314355
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964
1,3-dibutyl-2-ethylbenzene
CID 22713046
[2,3,4-tri(nonyl)phenyl]phosphane
CID 22289981
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1,2-dihexyl-3-methylbenzene
CID 15920121
2-butyl-1-octyl-3-propylbenzene
CID 141216645
1,2-dipentylbenzene;1,2,3-tripentylbenzene
CID 161479121

Frequently Asked Questions

What is the IUPAC name of (2,3-dibutylphenyl)phosphane?
The IUPAC name of (2,3-dibutylphenyl)phosphane (CID 19901991) is (2,3-dibutylphenyl)phosphane.
What is the SMILES notation for (2,3-dibutylphenyl)phosphane?
The canonical SMILES for (2,3-dibutylphenyl)phosphane is CCCCc1cccc(P)c1CCCC.
What is the InChIKey of (2,3-dibutylphenyl)phosphane?
The InChIKey is IWQYEANTIFXULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23P/c1-3-5-8-12-9-7-11-14(15)13(12)10-6-4-2/h7,9,11H,3-6,8,10,15H2,1-2H3.
What are the key properties of (2,3-dibutylphenyl)phosphane?
(2,3-dibutylphenyl)phosphane has a molecular weight of 222.31 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibutylphenyl)phosphane is sourced from PubChem (CID 19901991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).