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

C18H23O4P — CID 59131511

IUPAC[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
SMILESCC(C)OCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H23O4P/c1-16(2)20-15-23(19,21-13-17-9-5-3-6-10-17)22-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3
InChIKeyMLBBRAKOOQZODE-UHFFFAOYSA-N
MW334.35 g/mol
LogP5.00
Rot. Bonds9

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

[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene (PubChem CID 59131511) has the molecular formula C18H23O4P and a molecular weight of 334.35 g/mol. Its IUPAC name is [phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
PubChem CID59131511
Molecular FormulaC18H23O4P
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
SMILESCC(C)OCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H23O4P/c1-16(2)20-15-23(19,21-13-17-9-5-3-6-10-17)22-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3
InChIKeyMLBBRAKOOQZODE-UHFFFAOYSA-N
XLogP5.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 55.00
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

[methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131396
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
[2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 58944428
[phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene
CID 142823878
[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene
CID 57149072
2-[bis(phenylmethoxy)phosphorylmethoxy]-1-methoxy-4-propan-2-ylbenzene
CID 59132481
[2,12-dimethyltridecyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 54092599
benzyl 2-bis(phenylmethoxy)phosphorylacetate
CID 87986424
(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
CID 134924285
[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 71417020
dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphate
CID 174331135

Frequently Asked Questions

What is the IUPAC name of [phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene?
The IUPAC name of [phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene (CID 59131511) is [phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene.
What is the SMILES notation for [phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene?
The canonical SMILES for [phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene is CC(C)OCP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene?
The InChIKey is MLBBRAKOOQZODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O4P/c1-16(2)20-15-23(19,21-13-17-9-5-3-6-10-17)22-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3.
What are the key properties of [phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene?
[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene has a molecular weight of 334.35 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene is sourced from PubChem (CID 59131511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).