4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene

C15H25O3P — CID 91711632

IUPAC4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene
SMILESCCCCP(=O)(OCCC)Oc1ccc(C)c(C)c1
InChIInChI=1S/C15H25O3P/c1-5-7-11-19(16,17-10-6-2)18-15-9-8-13(3)14(4)12-15/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyFYZFYQMJAYHHCM-UHFFFAOYSA-N
MW284.34 g/mol
LogP5.10
Rot. Bonds8

About 4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene

4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene (PubChem CID 91711632) has the molecular formula C15H25O3P and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene
PubChem CID91711632
Molecular FormulaC15H25O3P
Molecular Weight284.34 g/mol
Exact Mass284.15
IUPAC Name4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene
SMILESCCCCP(=O)(OCCC)Oc1ccc(C)c(C)c1
InChIInChI=1S/C15H25O3P/c1-5-7-11-19(16,17-10-6-2)18-15-9-8-13(3)14(4)12-15/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyFYZFYQMJAYHHCM-UHFFFAOYSA-N
XLogP5.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.34
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene?
The IUPAC name of 4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene (CID 91711632) is 4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene.
What is the SMILES notation for 4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene?
The canonical SMILES for 4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene is CCCCP(=O)(OCCC)Oc1ccc(C)c(C)c1.
What is the InChIKey of 4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene?
The InChIKey is FYZFYQMJAYHHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O3P/c1-5-7-11-19(16,17-10-6-2)18-15-9-8-13(3)14(4)12-15/h8-9,12H,5-7,10-11H2,1-4H3.
What are the key properties of 4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene?
4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene has a molecular weight of 284.34 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene is sourced from PubChem (CID 91711632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).