[ethenyl(methyl)phosphoryl]benzene

C9H11OP — CID 10920870

IUPAC[ethenyl(methyl)phosphoryl]benzene
SMILESC=C[P@](C)(=O)c1ccccc1
InChIInChI=1S/C9H11OP/c1-3-11(2,10)9-7-5-4-6-8-9/h3-8H,1H2,2H3/t11-/m0/s1
InChIKeyXOEXUKCWWKJXHP-NSHDSACASA-N
MW166.16 g/mol
LogP2.45
Rot. Bonds2

About [ethenyl(methyl)phosphoryl]benzene

[ethenyl(methyl)phosphoryl]benzene (PubChem CID 10920870) has the molecular formula C9H11OP and a molecular weight of 166.16 g/mol. Its IUPAC name is [ethenyl(methyl)phosphoryl]benzene.

Molecular Properties

Compound Name[ethenyl(methyl)phosphoryl]benzene
PubChem CID10920870
Molecular FormulaC9H11OP
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name[ethenyl(methyl)phosphoryl]benzene
SMILESC=C[P@](C)(=O)c1ccccc1
InChIInChI=1S/C9H11OP/c1-3-11(2,10)9-7-5-4-6-8-9/h3-8H,1H2,2H3/t11-/m0/s1
InChIKeyXOEXUKCWWKJXHP-NSHDSACASA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene
CID 59707583
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
4-diphenylphosphorylpent-1-en-3-one
CID 162717312
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
diphenylphosphorylazanide
CID 18705552
methyl(phenyl)phosphinic acid;zinc
CID 66618039
[[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene
CID 59707595
CID 50986602
CID 50986602
1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene
CID 14298647
magnesium;hydride;methyl(phenyl)phosphinic acid
CID 173000792
[tert-butyl(methyl)phosphoryl]benzene
CID 12568654
[tert-butyl(methyl)phosphoryl]benzene
CID 12568653

Frequently Asked Questions

What is the IUPAC name of [ethenyl(methyl)phosphoryl]benzene?
The IUPAC name of [ethenyl(methyl)phosphoryl]benzene (CID 10920870) is [ethenyl(methyl)phosphoryl]benzene.
What is the SMILES notation for [ethenyl(methyl)phosphoryl]benzene?
The canonical SMILES for [ethenyl(methyl)phosphoryl]benzene is C=C[P@](C)(=O)c1ccccc1.
What is the InChIKey of [ethenyl(methyl)phosphoryl]benzene?
The InChIKey is XOEXUKCWWKJXHP-NSHDSACASA-N. The full InChI is InChI=1S/C9H11OP/c1-3-11(2,10)9-7-5-4-6-8-9/h3-8H,1H2,2H3/t11-/m0/s1.
What are the key properties of [ethenyl(methyl)phosphoryl]benzene?
[ethenyl(methyl)phosphoryl]benzene has a molecular weight of 166.16 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [ethenyl(methyl)phosphoryl]benzene is sourced from PubChem (CID 10920870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).