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

C12H19O3P — CID 59131396

IUPAC[methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
SMILESCC(C)OCP(C)(=O)OCc1ccccc1
InChIInChI=1S/C12H19O3P/c1-11(2)14-10-16(3,13)15-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeySWSAABXMNJBXNQ-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.49
Rot. Bonds6

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

[methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene (PubChem CID 59131396) has the molecular formula C12H19O3P and a molecular weight of 242.25 g/mol. Its IUPAC name is [methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
PubChem CID59131396
Molecular FormulaC12H19O3P
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name[methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
SMILESCC(C)OCP(C)(=O)OCc1ccccc1
InChIInChI=1S/C12H19O3P/c1-11(2)14-10-16(3,13)15-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeySWSAABXMNJBXNQ-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.49
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

[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131511
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158
[methyl(propan-2-yloxy)phosphoryl]methylbenzene
CID 11769791
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
CID 134924285
1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one
CID 86202371
1-phenylmethoxyethylphosphonic acid
CID 174787824
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
CID 173485287
1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate
CID 91289517

Frequently Asked Questions

What is the IUPAC name of [methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene?
The IUPAC name of [methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene (CID 59131396) is [methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene.
What is the SMILES notation for [methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene?
The canonical SMILES for [methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene is CC(C)OCP(C)(=O)OCc1ccccc1.
What is the InChIKey of [methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene?
The InChIKey is SWSAABXMNJBXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O3P/c1-11(2)14-10-16(3,13)15-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of [methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene?
[methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene has a molecular weight of 242.25 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene is sourced from PubChem (CID 59131396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).