1-dibutoxyphosphoryl-2-methylbenzene

C15H25O3P — CID 12828370

IUPAC1-dibutoxyphosphoryl-2-methylbenzene
SMILESCCCCOP(=O)(OCCCC)c1ccccc1C
InChIInChI=1S/C15H25O3P/c1-4-6-12-17-19(16,18-13-7-5-2)15-11-9-8-10-14(15)3/h8-11H,4-7,12-13H2,1-3H3
InChIKeySJWARBBASZGZAG-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.45
Rot. Bonds9

About 1-dibutoxyphosphoryl-2-methylbenzene

1-dibutoxyphosphoryl-2-methylbenzene (PubChem CID 12828370) has the molecular formula C15H25O3P and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-dibutoxyphosphoryl-2-methylbenzene.

Molecular Properties

Compound Name1-dibutoxyphosphoryl-2-methylbenzene
PubChem CID12828370
Molecular FormulaC15H25O3P
Molecular Weight284.34 g/mol
Exact Mass284.15
IUPAC Name1-dibutoxyphosphoryl-2-methylbenzene
SMILESCCCCOP(=O)(OCCCC)c1ccccc1C
InChIInChI=1S/C15H25O3P/c1-4-6-12-17-19(16,18-13-7-5-2)15-11-9-8-10-14(15)3/h8-11H,4-7,12-13H2,1-3H3
InChIKeySJWARBBASZGZAG-UHFFFAOYSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dibutyl-3-dipropoxyphosphorylbenzene
CID 87672568
1-[ethoxy-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 23081831
di(tridecoxy)phosphorylbenzene
CID 87531060
biphenylene;bis(dibutyl hydrogen phosphate)
CID 87094154
1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene
CID 66796976
(2-methylphenyl)methyl dioctyl phosphate
CID 139795424
tetramethyl-[(2-methylphenyl)-(tetramethyl-λ5-phosphanyl)oxyphosphoryl]oxy-λ5-phosphane
CID 141035011
[butoxy(fluoro)phosphoryl]benzene
CID 23235617
benzene;tributyl phosphate
CID 69440959
[2-methylpropoxy(tridecoxy)phosphoryl]benzene
CID 91723456
dipropoxyphosphorylbenzene
CID 11736632
1-diphenoxyphosphoryl-2-methylbenzene;hydroiodide
CID 87847595

Frequently Asked Questions

What is the IUPAC name of 1-dibutoxyphosphoryl-2-methylbenzene?
The IUPAC name of 1-dibutoxyphosphoryl-2-methylbenzene (CID 12828370) is 1-dibutoxyphosphoryl-2-methylbenzene.
What is the SMILES notation for 1-dibutoxyphosphoryl-2-methylbenzene?
The canonical SMILES for 1-dibutoxyphosphoryl-2-methylbenzene is CCCCOP(=O)(OCCCC)c1ccccc1C.
What is the InChIKey of 1-dibutoxyphosphoryl-2-methylbenzene?
The InChIKey is SJWARBBASZGZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O3P/c1-4-6-12-17-19(16,18-13-7-5-2)15-11-9-8-10-14(15)3/h8-11H,4-7,12-13H2,1-3H3.
What are the key properties of 1-dibutoxyphosphoryl-2-methylbenzene?
1-dibutoxyphosphoryl-2-methylbenzene has a molecular weight of 284.34 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibutoxyphosphoryl-2-methylbenzene is sourced from PubChem (CID 12828370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).