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

C11H17O3P — CID 87190158

IUPAC[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
SMILESCC(C)OP(C)(=O)OCc1ccccc1
InChIInChI=1S/C11H17O3P/c1-10(2)14-15(3,12)13-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyXPNFROLWUURLBW-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.45
Rot. Bonds5

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

[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene (PubChem CID 87190158) has the molecular formula C11H17O3P and a molecular weight of 228.23 g/mol. Its IUPAC name is [methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
PubChem CID87190158
Molecular FormulaC11H17O3P
Molecular Weight228.23 g/mol
Exact Mass228.09
IUPAC Name[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
SMILESCC(C)OP(C)(=O)OCc1ccccc1
InChIInChI=1S/C11H17O3P/c1-10(2)14-15(3,12)13-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyXPNFROLWUURLBW-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131396
[methyl(propan-2-yloxy)phosphoryl]methylbenzene
CID 11769791
[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131511
(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
CID 134924285
dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphate
CID 174331135
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
benzylsulfanyl dipropan-2-yl phosphate
CID 57006297
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid
CID 158628766
dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate
CID 59169038
[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
CID 173485287

Frequently Asked Questions

What is the IUPAC name of [methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene?
The IUPAC name of [methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene (CID 87190158) is [methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene.
What is the SMILES notation for [methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene?
The canonical SMILES for [methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene is CC(C)OP(C)(=O)OCc1ccccc1.
What is the InChIKey of [methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene?
The InChIKey is XPNFROLWUURLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O3P/c1-10(2)14-15(3,12)13-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of [methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene?
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene has a molecular weight of 228.23 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene is sourced from PubChem (CID 87190158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).