(4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone

C11H11O2P — CID 23505035

IUPAC(4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone
SMILESC=Cc1cc(C)c(C(=O)P=O)c(C)c1
InChIInChI=1S/C11H11O2P/c1-4-9-5-7(2)10(8(3)6-9)11(12)14-13/h4-6H,1H2,2-3H3
InChIKeyAXSIWRLXXPIMIF-UHFFFAOYSA-N
MW206.18 g/mol
LogP3.38
Rot. Bonds3

About (4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone

(4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone (PubChem CID 23505035) has the molecular formula C11H11O2P and a molecular weight of 206.18 g/mol. Its IUPAC name is (4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone.

Molecular Properties

Compound Name(4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone
PubChem CID23505035
Molecular FormulaC11H11O2P
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name(4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone
SMILESC=Cc1cc(C)c(C(=O)P=O)c(C)c1
InChIInChI=1S/C11H11O2P/c1-4-9-5-7(2)10(8(3)6-9)11(12)14-13/h4-6H,1H2,2-3H3
InChIKeyAXSIWRLXXPIMIF-UHFFFAOYSA-N
XLogP3.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone?
The IUPAC name of (4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone (CID 23505035) is (4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone.
What is the SMILES notation for (4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone?
The canonical SMILES for (4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone is C=Cc1cc(C)c(C(=O)P=O)c(C)c1.
What is the InChIKey of (4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone?
The InChIKey is AXSIWRLXXPIMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O2P/c1-4-9-5-7(2)10(8(3)6-9)11(12)14-13/h4-6H,1H2,2-3H3.
What are the key properties of (4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone?
(4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone has a molecular weight of 206.18 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone is sourced from PubChem (CID 23505035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).