1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene

C11H15O2P — CID 165353405

IUPAC1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene
SMILESCOP(C)(=O)C=C(C)c1ccccc1
InChIInChI=1S/C11H15O2P/c1-10(9-14(3,12)13-2)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyCKOTUBUMEBTMHY-UHFFFAOYSA-N
MW210.21 g/mol
LogP3.60
Rot. Bonds3

About 1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene

1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene (PubChem CID 165353405) has the molecular formula C11H15O2P and a molecular weight of 210.21 g/mol. Its IUPAC name is 1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene
PubChem CID165353405
Molecular FormulaC11H15O2P
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene
SMILESCOP(C)(=O)C=C(C)c1ccccc1
InChIInChI=1S/C11H15O2P/c1-10(9-14(3,12)13-2)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyCKOTUBUMEBTMHY-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-phenylprop-1-enyl]phosphonic acid
CID 10954513
(1S)-1-dimethoxyphosphoryl-3-phenylbut-2-en-1-ol
CID 57315099
[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 91322259
[phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene
CID 134934290
methyl (E)-3-phenylbut-2-enoate
CID 5354835
4-phenylpent-3-en-2-one
CID 594380
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398
2-phenylprop-1-enyl but-3-enoate
CID 174681900
2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
CID 166442123
(2S)-2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
CID 125471761
[(E)-2-phenylprop-1-enyl] trifluoromethanesulfonate
CID 6375317
ethenyl methyl phenyl phosphate
CID 11593721

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene?
The IUPAC name of 1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene (CID 165353405) is 1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene?
The canonical SMILES for 1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene is COP(C)(=O)C=C(C)c1ccccc1.
What is the InChIKey of 1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene?
The InChIKey is CKOTUBUMEBTMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O2P/c1-10(9-14(3,12)13-2)11-7-5-4-6-8-11/h4-9H,1-3H3.
What are the key properties of 1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene?
1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene has a molecular weight of 210.21 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene is sourced from PubChem (CID 165353405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).