6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide

C11H13O3P — CID 73229129

IUPAC6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESCC1C=CCP(=O)(Oc2ccccc2)O1
InChIInChI=1S/C11H13O3P/c1-10-6-5-9-15(12,13-10)14-11-7-3-2-4-8-11/h2-8,10H,9H2,1H3
InChIKeyVRRAPTMZOFNJNR-UHFFFAOYSA-N
MW224.20 g/mol
LogP3.23
Rot. Bonds2

About 6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide

6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide (PubChem CID 73229129) has the molecular formula C11H13O3P and a molecular weight of 224.20 g/mol. Its IUPAC name is 6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide.

Molecular Properties

Compound Name6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
PubChem CID73229129
Molecular FormulaC11H13O3P
Molecular Weight224.20 g/mol
Exact Mass224.06
IUPAC Name6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESCC1C=CCP(=O)(Oc2ccccc2)O1
InChIInChI=1S/C11H13O3P/c1-10-6-5-9-15(12,13-10)14-11-7-3-2-4-8-11/h2-8,10H,9H2,1H3
InChIKeyVRRAPTMZOFNJNR-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The IUPAC name of 6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide (CID 73229129) is 6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide.
What is the SMILES notation for 6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The canonical SMILES for 6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide is CC1C=CCP(=O)(Oc2ccccc2)O1.
What is the InChIKey of 6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The InChIKey is VRRAPTMZOFNJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O3P/c1-10-6-5-9-15(12,13-10)14-11-7-3-2-4-8-11/h2-8,10H,9H2,1H3.
What are the key properties of 6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide has a molecular weight of 224.20 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide is sourced from PubChem (CID 73229129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).