1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide

C11H15O2P — CID 135080518

IUPAC1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide
SMILESCCOP1(=O)CCCc2ccccc21
InChIInChI=1S/C11H15O2P/c1-2-13-14(12)9-5-7-10-6-3-4-8-11(10)14/h3-4,6,8H,2,5,7,9H2,1H3
InChIKeyIJSYDQXGEAEMDA-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.57
Rot. Bonds2

About 1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide

1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide (PubChem CID 135080518) has the molecular formula C11H15O2P and a molecular weight of 210.21 g/mol. Its IUPAC name is 1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide.

Molecular Properties

Compound Name1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide
PubChem CID135080518
Molecular FormulaC11H15O2P
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide
SMILESCCOP1(=O)CCCc2ccccc21
InChIInChI=1S/C11H15O2P/c1-2-13-14(12)9-5-7-10-6-3-4-8-11(10)14/h3-4,6,8H,2,5,7,9H2,1H3
InChIKeyIJSYDQXGEAEMDA-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide?
The IUPAC name of 1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide (CID 135080518) is 1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide.
What is the SMILES notation for 1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide?
The canonical SMILES for 1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide is CCOP1(=O)CCCc2ccccc21.
What is the InChIKey of 1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide?
The InChIKey is IJSYDQXGEAEMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O2P/c1-2-13-14(12)9-5-7-10-6-3-4-8-11(10)14/h3-4,6,8H,2,5,7,9H2,1H3.
What are the key properties of 1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide?
1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide has a molecular weight of 210.21 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide is sourced from PubChem (CID 135080518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).