1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide

C10H13O3P — CID 164683795

IUPAC1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide
SMILESCCOP1(=O)OCCc2ccccc21
InChIInChI=1S/C10H13O3P/c1-2-12-14(11)10-6-4-3-5-9(10)7-8-13-14/h3-6H,2,7-8H2,1H3
InChIKeyFKNUDTDMJJUTMX-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.11
Rot. Bonds2

About 1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide

1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide (PubChem CID 164683795) has the molecular formula C10H13O3P and a molecular weight of 212.19 g/mol. Its IUPAC name is 1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide.

Molecular Properties

Compound Name1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide
PubChem CID164683795
Molecular FormulaC10H13O3P
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide
SMILESCCOP1(=O)OCCc2ccccc21
InChIInChI=1S/C10H13O3P/c1-2-12-14(11)10-6-4-3-5-9(10)7-8-13-14/h3-6H,2,7-8H2,1H3
InChIKeyFKNUDTDMJJUTMX-UHFFFAOYSA-N
XLogP2.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide
CID 135080518
6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 90467370
3,4-dibutyl-1-ethoxy-2,1λ5-benzoxaphosphinine 1-oxide
CID 118537009
1-methyl-2,3-dihydrophosphindole 1-oxide
CID 13169931
2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099
(10R,20R)-2-ethoxy-10,20-dimethyl-9,12,15,18,21-pentaoxa-2λ5-phosphatricyclo[20.4.0.03,8]hexacosa-1(26),3,5,7,22,24-hexaene 2-oxide
CID 102392416
1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 118536975
1-ethoxy-3-(4-methoxyphenyl)-4-phenylselanyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 170556133
2,3-dihydro-1-benzofuran;ethane
CID 54441538
ethyl 3,4-dihydro-1H-isochromene-1-carboxylate
CID 12511862
1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 118537026
(1R)-1-phenyl-2,3-dihydrophosphindole 1-oxide
CID 139092919

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide?
The IUPAC name of 1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide (CID 164683795) is 1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide.
What is the SMILES notation for 1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide?
The canonical SMILES for 1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide is CCOP1(=O)OCCc2ccccc21.
What is the InChIKey of 1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide?
The InChIKey is FKNUDTDMJJUTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O3P/c1-2-12-14(11)10-6-4-3-5-9(10)7-8-13-14/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide?
1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide has a molecular weight of 212.19 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide is sourced from PubChem (CID 164683795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).