[2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene

C20H27O4P — CID 58944428

IUPAC[2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
SMILESCCC(C)(C)OCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H27O4P/c1-4-20(2,3)22-17-25(21,23-15-18-11-7-5-8-12-18)24-16-19-13-9-6-10-14-19/h5-14H,4,15-17H2,1-3H3
InChIKeyDWJUQDCNEBDPNT-UHFFFAOYSA-N
MW362.41 g/mol
LogP5.78
Rot. Bonds10

About [2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene

[2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene (PubChem CID 58944428) has the molecular formula C20H27O4P and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
PubChem CID58944428
Molecular FormulaC20H27O4P
Molecular Weight362.41 g/mol
Exact Mass362.16
IUPAC Name[2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
SMILESCCC(C)(C)OCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H27O4P/c1-4-20(2,3)22-17-25(21,23-15-18-11-7-5-8-12-18)24-16-19-13-9-6-10-14-19/h5-14H,4,15-17H2,1-3H3
InChIKeyDWJUQDCNEBDPNT-UHFFFAOYSA-N
XLogP5.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131511
[phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene
CID 142823878
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
2-methyl-2-phenylmethoxybutanoic acid
CID 14683642
[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
CID 173485287
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
2-[4-(4-diethoxyphosphoryl-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethoxymethylbenzene
CID 138624959
[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 71417020
1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one
CID 23002023
benzyl tert-butyl hydrogen phosphate
CID 140989025
2,4,4-trimethylhexan-2-yloxymethylbenzene
CID 123305221
trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane
CID 162188865

Frequently Asked Questions

What is the IUPAC name of [2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene?
The IUPAC name of [2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene (CID 58944428) is [2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene.
What is the SMILES notation for [2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene?
The canonical SMILES for [2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene is CCC(C)(C)OCP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene?
The InChIKey is DWJUQDCNEBDPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O4P/c1-4-20(2,3)22-17-25(21,23-15-18-11-7-5-8-12-18)24-16-19-13-9-6-10-14-19/h5-14H,4,15-17H2,1-3H3.
What are the key properties of [2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene?
[2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene has a molecular weight of 362.41 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene is sourced from PubChem (CID 58944428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).