1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene

C19H33O4P — CID 91743724

IUPAC1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene
SMILESCCCCCCCCOP(=O)(CCCC)Oc1ccc(OC)cc1
InChIInChI=1S/C19H33O4P/c1-4-6-8-9-10-11-16-22-24(20,17-7-5-2)23-19-14-12-18(21-3)13-15-19/h12-15H,4-11,16-17H2,1-3H3
InChIKeyKXZMGHVMPCFAGW-UHFFFAOYSA-N
MW356.44 g/mol
LogP6.44
Rot. Bonds14

About 1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene

1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene (PubChem CID 91743724) has the molecular formula C19H33O4P and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene.

Molecular Properties

Compound Name1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene
PubChem CID91743724
Molecular FormulaC19H33O4P
Molecular Weight356.44 g/mol
Exact Mass356.21
IUPAC Name1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene
SMILESCCCCCCCCOP(=O)(CCCC)Oc1ccc(OC)cc1
InChIInChI=1S/C19H33O4P/c1-4-6-8-9-10-11-16-22-24(20,17-7-5-2)23-19-14-12-18(21-3)13-15-19/h12-15H,4-11,16-17H2,1-3H3
InChIKeyKXZMGHVMPCFAGW-UHFFFAOYSA-N
XLogP6.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bromo-4-[butoxy(butyl)phosphoryl]oxybenzene
CID 6424738
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
1-[butyl(nonoxy)phosphoryl]oxy-3-methylbenzene
CID 91736556
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-[butoxy(butyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene
CID 91744206
1-[butyl(propoxy)phosphoryl]oxy-4-nitrobenzene
CID 91735345
1-[butyl(heptoxy)phosphoryl]oxy-2-methylbenzene
CID 6425176
[chloromethyl(nonoxy)phosphoryl]oxybenzene
CID 163168049
4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene
CID 91711632
1-dihexoxyphosphoryltetradecane
CID 151638840

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene?
The IUPAC name of 1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene (CID 91743724) is 1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene.
What is the SMILES notation for 1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene?
The canonical SMILES for 1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene is CCCCCCCCOP(=O)(CCCC)Oc1ccc(OC)cc1.
What is the InChIKey of 1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene?
The InChIKey is KXZMGHVMPCFAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33O4P/c1-4-6-8-9-10-11-16-22-24(20,17-7-5-2)23-19-14-12-18(21-3)13-15-19/h12-15H,4-11,16-17H2,1-3H3.
What are the key properties of 1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene?
1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene has a molecular weight of 356.44 g/mol, XLogP of 6.44, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene is sourced from PubChem (CID 91743724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).