[butyl(methoxy)phosphoryl]oxybenzene

C11H17O3P — CID 125474824

IUPAC[butyl(methoxy)phosphoryl]oxybenzene
SMILESCCCC[P@@](=O)(OC)Oc1ccccc1
InChIInChI=1S/C11H17O3P/c1-3-4-10-15(12,13-2)14-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3/t15-/m1/s1
InChIKeyBNTYPMKFAKZTCL-OAHLLOKOSA-N
MW228.23 g/mol
LogP3.70
Rot. Bonds6

About [butyl(methoxy)phosphoryl]oxybenzene

[butyl(methoxy)phosphoryl]oxybenzene (PubChem CID 125474824) has the molecular formula C11H17O3P and a molecular weight of 228.23 g/mol. Its IUPAC name is [butyl(methoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[butyl(methoxy)phosphoryl]oxybenzene
PubChem CID125474824
Molecular FormulaC11H17O3P
Molecular Weight228.23 g/mol
Exact Mass228.09
IUPAC Name[butyl(methoxy)phosphoryl]oxybenzene
SMILESCCCC[P@@](=O)(OC)Oc1ccccc1
InChIInChI=1S/C11H17O3P/c1-3-4-10-15(12,13-2)14-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3/t15-/m1/s1
InChIKeyBNTYPMKFAKZTCL-OAHLLOKOSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 132915786
[methoxy-[[methoxy(phenoxy)phosphoryl]methyl]phosphoryl]oxybenzene;dihydrate
CID 87979302
[butyl(propyl)phosphoryl]oxybenzene
CID 23081695
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
1-[butoxy(butyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene
CID 91744206
[methoxy(prop-2-enyl)phosphoryl]oxybenzene
CID 54095203
phenoxy(undecyl)phosphinic acid
CID 87383274
[chloromethyl(pentoxy)phosphoryl]oxybenzene
CID 163137726
[chloromethyl(nonoxy)phosphoryl]oxybenzene
CID 163168049
1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene
CID 91743724
1-[butyl(ethoxy)phosphoryl]oxy-3-methylbenzene
CID 91739019
2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene
CID 91739119

Frequently Asked Questions

What is the IUPAC name of [butyl(methoxy)phosphoryl]oxybenzene?
The IUPAC name of [butyl(methoxy)phosphoryl]oxybenzene (CID 125474824) is [butyl(methoxy)phosphoryl]oxybenzene.
What is the SMILES notation for [butyl(methoxy)phosphoryl]oxybenzene?
The canonical SMILES for [butyl(methoxy)phosphoryl]oxybenzene is CCCC[P@@](=O)(OC)Oc1ccccc1.
What is the InChIKey of [butyl(methoxy)phosphoryl]oxybenzene?
The InChIKey is BNTYPMKFAKZTCL-OAHLLOKOSA-N. The full InChI is InChI=1S/C11H17O3P/c1-3-4-10-15(12,13-2)14-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3/t15-/m1/s1.
What are the key properties of [butyl(methoxy)phosphoryl]oxybenzene?
[butyl(methoxy)phosphoryl]oxybenzene has a molecular weight of 228.23 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(methoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 125474824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).