2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide

C13H17O4P — CID 15170845

IUPAC2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESC=CCC1COP(=O)(OCc2ccccc2)OC1
InChIInChI=1S/C13H17O4P/c1-2-6-13-10-16-18(14,17-11-13)15-9-12-7-4-3-5-8-12/h2-5,7-8,13H,1,6,9-11H2
InChIKeyGUDGLOMCGPQWOB-UHFFFAOYSA-N
MW268.25 g/mol
LogP3.55
Rot. Bonds5

About 2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide

2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide (PubChem CID 15170845) has the molecular formula C13H17O4P and a molecular weight of 268.25 g/mol. Its IUPAC name is 2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide
PubChem CID15170845
Molecular FormulaC13H17O4P
Molecular Weight268.25 g/mol
Exact Mass268.09
IUPAC Name2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESC=CCC1COP(=O)(OCc2ccccc2)OC1
InChIInChI=1S/C13H17O4P/c1-2-6-13-10-16-18(14,17-11-13)15-9-12-7-4-3-5-8-12/h2-5,7-8,13H,1,6,9-11H2
InChIKeyGUDGLOMCGPQWOB-UHFFFAOYSA-N
XLogP3.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide (CID 15170845) is 2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide is C=CCC1COP(=O)(OCc2ccccc2)OC1.
What is the InChIKey of 2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The InChIKey is GUDGLOMCGPQWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O4P/c1-2-6-13-10-16-18(14,17-11-13)15-9-12-7-4-3-5-8-12/h2-5,7-8,13H,1,6,9-11H2.
What are the key properties of 2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide has a molecular weight of 268.25 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 15170845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).