2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene

C20H27O7P — CID 91739119

IUPAC2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene
SMILESCCCCP(=O)(Oc1c(OC)cccc1OC)Oc1c(OC)cccc1OC
InChIInChI=1S/C20H27O7P/c1-6-7-14-28(21,26-19-15(22-2)10-8-11-16(19)23-3)27-20-17(24-4)12-9-13-18(20)25-5/h8-13H,6-7,14H2,1-5H3
InChIKeyQFUCOOUWHUECJG-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.17
Rot. Bonds11

About 2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene

2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene (PubChem CID 91739119) has the molecular formula C20H27O7P and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene
PubChem CID91739119
Molecular FormulaC20H27O7P
Molecular Weight410.40 g/mol
Exact Mass410.15
IUPAC Name2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene
SMILESCCCCP(=O)(Oc1c(OC)cccc1OC)Oc1c(OC)cccc1OC
InChIInChI=1S/C20H27O7P/c1-6-7-14-28(21,26-19-15(22-2)10-8-11-16(19)23-3)27-20-17(24-4)12-9-13-18(20)25-5/h8-13H,6-7,14H2,1-5H3
InChIKeyQFUCOOUWHUECJG-UHFFFAOYSA-N
XLogP5.17
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene?
The IUPAC name of 2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene (CID 91739119) is 2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene.
What is the SMILES notation for 2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene?
The canonical SMILES for 2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene is CCCCP(=O)(Oc1c(OC)cccc1OC)Oc1c(OC)cccc1OC.
What is the InChIKey of 2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene?
The InChIKey is QFUCOOUWHUECJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O7P/c1-6-7-14-28(21,26-19-15(22-2)10-8-11-16(19)23-3)27-20-17(24-4)12-9-13-18(20)25-5/h8-13H,6-7,14H2,1-5H3.
What are the key properties of 2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene?
2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene has a molecular weight of 410.40 g/mol, XLogP of 5.17, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene is sourced from PubChem (CID 91739119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).