ethane;ethoxy(phenyl)phosphinous acid

C10H17O2P — CID 145394359

IUPACethane;ethoxy(phenyl)phosphinous acid
SMILESCC.CCOP(O)c1ccccc1
InChIInChI=1S/C8H11O2P.C2H6/c1-2-10-11(9)8-6-4-3-5-7-8;1-2/h3-7,9H,2H2,1H3;1-2H3
InChIKeySOTJNCQRBYCSPU-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.68
Rot. Bonds3

About ethane;ethoxy(phenyl)phosphinous acid

ethane;ethoxy(phenyl)phosphinous acid (PubChem CID 145394359) has the molecular formula C10H17O2P and a molecular weight of 200.22 g/mol. Its IUPAC name is ethane;ethoxy(phenyl)phosphinous acid.

Molecular Properties

Compound Nameethane;ethoxy(phenyl)phosphinous acid
PubChem CID145394359
Molecular FormulaC10H17O2P
Molecular Weight200.22 g/mol
Exact Mass200.10
IUPAC Nameethane;ethoxy(phenyl)phosphinous acid
SMILESCC.CCOP(O)c1ccccc1
InChIInChI=1S/C8H11O2P.C2H6/c1-2-10-11(9)8-6-4-3-5-7-8;1-2/h3-7,9H,2H2,1H3;1-2H3
InChIKeySOTJNCQRBYCSPU-UHFFFAOYSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethoxy(phenyl)phosphinous acid?
The IUPAC name of ethane;ethoxy(phenyl)phosphinous acid (CID 145394359) is ethane;ethoxy(phenyl)phosphinous acid.
What is the SMILES notation for ethane;ethoxy(phenyl)phosphinous acid?
The canonical SMILES for ethane;ethoxy(phenyl)phosphinous acid is CC.CCOP(O)c1ccccc1.
What is the InChIKey of ethane;ethoxy(phenyl)phosphinous acid?
The InChIKey is SOTJNCQRBYCSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2P.C2H6/c1-2-10-11(9)8-6-4-3-5-7-8;1-2/h3-7,9H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethoxy(phenyl)phosphinous acid?
ethane;ethoxy(phenyl)phosphinous acid has a molecular weight of 200.22 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethoxy(phenyl)phosphinous acid is sourced from PubChem (CID 145394359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).