bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene

C15H21O2P — CID 10778014

IUPACbis(2-methylprop-2-enyl)phosphoryloxymethylbenzene
SMILESC=C(C)CP(=O)(CC(=C)C)OCc1ccccc1
InChIInChI=1S/C15H21O2P/c1-13(2)11-18(16,12-14(3)4)17-10-15-8-6-5-7-9-15/h5-9H,1,3,10-12H2,2,4H3
InChIKeyMQLSUOIKJROXEG-UHFFFAOYSA-N
MW264.30 g/mol
LogP4.63
Rot. Bonds7

About bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene

bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene (PubChem CID 10778014) has the molecular formula C15H21O2P and a molecular weight of 264.30 g/mol. Its IUPAC name is bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene.

Molecular Properties

Compound Namebis(2-methylprop-2-enyl)phosphoryloxymethylbenzene
PubChem CID10778014
Molecular FormulaC15H21O2P
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Namebis(2-methylprop-2-enyl)phosphoryloxymethylbenzene
SMILESC=C(C)CP(=O)(CC(=C)C)OCc1ccccc1
InChIInChI=1S/C15H21O2P/c1-13(2)11-18(16,12-14(3)4)17-10-15-8-6-5-7-9-15/h5-9H,1,3,10-12H2,2,4H3
InChIKeyMQLSUOIKJROXEG-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene?
The IUPAC name of bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene (CID 10778014) is bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene.
What is the SMILES notation for bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene?
The canonical SMILES for bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene is C=C(C)CP(=O)(CC(=C)C)OCc1ccccc1.
What is the InChIKey of bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene?
The InChIKey is MQLSUOIKJROXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O2P/c1-13(2)11-18(16,12-14(3)4)17-10-15-8-6-5-7-9-15/h5-9H,1,3,10-12H2,2,4H3.
What are the key properties of bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene?
bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene has a molecular weight of 264.30 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene is sourced from PubChem (CID 10778014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).