(2,3-dibutylphenyl)-propoxyphosphane

C17H29OP — CID 69050781

IUPAC(2,3-dibutylphenyl)-propoxyphosphane
SMILESCCCCc1cccc(POCCC)c1CCCC
InChIInChI=1S/C17H29OP/c1-4-7-10-15-11-9-13-17(19-18-14-6-3)16(15)12-8-5-2/h9,11,13,19H,4-8,10,12,14H2,1-3H3
InChIKeyVSWOCGLQJPGFJW-UHFFFAOYSA-N
MW280.39 g/mol
LogP5.02
Rot. Bonds10

About (2,3-dibutylphenyl)-propoxyphosphane

(2,3-dibutylphenyl)-propoxyphosphane (PubChem CID 69050781) has the molecular formula C17H29OP and a molecular weight of 280.39 g/mol. Its IUPAC name is (2,3-dibutylphenyl)-propoxyphosphane.

Molecular Properties

Compound Name(2,3-dibutylphenyl)-propoxyphosphane
PubChem CID69050781
Molecular FormulaC17H29OP
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name(2,3-dibutylphenyl)-propoxyphosphane
SMILESCCCCc1cccc(POCCC)c1CCCC
InChIInChI=1S/C17H29OP/c1-4-7-10-15-11-9-13-17(19-18-14-6-3)16(15)12-8-5-2/h9,11,13,19H,4-8,10,12,14H2,1-3H3
InChIKeyVSWOCGLQJPGFJW-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-tributylbenzene;hydrate
CID 172716323
CID 173004407
CID 173004407
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-dibutylphenyl)phosphane
CID 19901991
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1,2-dibutyl-3-dipropoxyphosphorylbenzene
CID 87672568
2-butyl-1-octyl-3-propylbenzene
CID 141216645
1,2-dihexyl-3-methylbenzene
CID 15920121
(2,3-dibutylphenyl)methylphosphane
CID 21314355

Frequently Asked Questions

What is the IUPAC name of (2,3-dibutylphenyl)-propoxyphosphane?
The IUPAC name of (2,3-dibutylphenyl)-propoxyphosphane (CID 69050781) is (2,3-dibutylphenyl)-propoxyphosphane.
What is the SMILES notation for (2,3-dibutylphenyl)-propoxyphosphane?
The canonical SMILES for (2,3-dibutylphenyl)-propoxyphosphane is CCCCc1cccc(POCCC)c1CCCC.
What is the InChIKey of (2,3-dibutylphenyl)-propoxyphosphane?
The InChIKey is VSWOCGLQJPGFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29OP/c1-4-7-10-15-11-9-13-17(19-18-14-6-3)16(15)12-8-5-2/h9,11,13,19H,4-8,10,12,14H2,1-3H3.
What are the key properties of (2,3-dibutylphenyl)-propoxyphosphane?
(2,3-dibutylphenyl)-propoxyphosphane has a molecular weight of 280.39 g/mol, XLogP of 5.02, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibutylphenyl)-propoxyphosphane is sourced from PubChem (CID 69050781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).