1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene

C15H23O3P — CID 87506474

IUPAC1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene
SMILESC=Cc1ccccc1CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C15H23O3P/c1-6-14-9-7-8-10-15(14)11-19(16,17-12(2)3)18-13(4)5/h6-10,12-13H,1,11H2,2-5H3
InChIKeyOYTSYQQSVLQPAL-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.87
Rot. Bonds7

About 1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene

1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene (PubChem CID 87506474) has the molecular formula C15H23O3P and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene.

Molecular Properties

Compound Name1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene
PubChem CID87506474
Molecular FormulaC15H23O3P
Molecular Weight282.32 g/mol
Exact Mass282.14
IUPAC Name1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene
SMILESC=Cc1ccccc1CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C15H23O3P/c1-6-14-9-7-8-10-15(14)11-19(16,17-12(2)3)18-13(4)5/h6-10,12-13H,1,11H2,2-5H3
InChIKeyOYTSYQQSVLQPAL-UHFFFAOYSA-N
XLogP4.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.87
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

1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
1-ethenyl-2-ethylbenzene;phenoxybenzene;phosphoric acid
CID 174902871
1-ethenyl-2-(2-ethylbutyl)benzene
CID 22475782
1-(bromomethyl)-2-ethenylbenzene;2-methylprop-1-ene
CID 22617263
[methyl(propan-2-yloxy)phosphoryl]methylbenzene
CID 11769791
1-ethenyl-2-[2-[(2-ethenylphenyl)methoxy]ethoxymethyl]benzene
CID 86246407
1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine
CID 134263971
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
ethane;1-ethenyl-2-ethylbenzene;1,1,1-trifluoroethane
CID 145463333
[(E)-2-[di(propan-2-yloxy)phosphorylmethylsulfonyl]ethenyl]benzene
CID 139060396
1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine
CID 138459298

Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene?
The IUPAC name of 1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene (CID 87506474) is 1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene.
What is the SMILES notation for 1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene?
The canonical SMILES for 1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene is C=Cc1ccccc1CP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene?
The InChIKey is OYTSYQQSVLQPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O3P/c1-6-14-9-7-8-10-15(14)11-19(16,17-12(2)3)18-13(4)5/h6-10,12-13H,1,11H2,2-5H3.
What are the key properties of 1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene?
1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene has a molecular weight of 282.32 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene is sourced from PubChem (CID 87506474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).