6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide

C11H11O4P — CID 142711376

IUPAC6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide
SMILESC=CC1=CCOP(=O)(Oc2ccccc2)O1
InChIInChI=1S/C11H11O4P/c1-2-10-8-9-13-16(12,14-10)15-11-6-4-3-5-7-11/h2-8H,1,9H2
InChIKeyGPKCOBNSTAITNW-UHFFFAOYSA-N
MW238.18 g/mol
LogP3.29
Rot. Bonds3

About 6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide

6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide (PubChem CID 142711376) has the molecular formula C11H11O4P and a molecular weight of 238.18 g/mol. Its IUPAC name is 6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide.

Molecular Properties

Compound Name6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide
PubChem CID142711376
Molecular FormulaC11H11O4P
Molecular Weight238.18 g/mol
Exact Mass238.04
IUPAC Name6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide
SMILESC=CC1=CCOP(=O)(Oc2ccccc2)O1
InChIInChI=1S/C11H11O4P/c1-2-10-8-9-13-16(12,14-10)15-11-6-4-3-5-7-11/h2-8H,1,9H2
InChIKeyGPKCOBNSTAITNW-UHFFFAOYSA-N
XLogP3.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-phenoxy-1,5-dihydro-2,4,3lambda5-benzodioxaphosphepine 3-oxide
CID 13459942
4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 23416155
4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 23418629
11-phenoxybenzo[d][1,3,6,2]benzodioxathiaphosphocine 11-oxide
CID 172701636
(3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide
CID 171069326
(2S,4S,5R)-5-bromo-2-phenoxy-4-phenyl-1,3,2λ5-dioxaphosphepane 2-oxide
CID 10915953
6-ethenyl-4H-1,3-dioxin-2-one
CID 89425003
(2R,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide
CID 125493267
(2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide
CID 125493266
2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 13308395
1-[(6R)-7-hydroxy-7-methyl-2-oxo-2-phenoxy-6,8-dihydro-4H-pyrano[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidine-2,4-dione
CID 163789144
oxirane;phenyl prop-2-enoate
CID 87443709

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide?
The IUPAC name of 6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide (CID 142711376) is 6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide.
What is the SMILES notation for 6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide?
The canonical SMILES for 6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide is C=CC1=CCOP(=O)(Oc2ccccc2)O1.
What is the InChIKey of 6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide?
The InChIKey is GPKCOBNSTAITNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O4P/c1-2-10-8-9-13-16(12,14-10)15-11-6-4-3-5-7-11/h2-8H,1,9H2.
What are the key properties of 6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide?
6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide has a molecular weight of 238.18 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide is sourced from PubChem (CID 142711376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).