(2,3-diethylphenyl)methyl-ethoxyphosphinic acid

C13H21O3P — CID 118483625

IUPAC(2,3-diethylphenyl)methyl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)Cc1cccc(CC)c1CC
InChIInChI=1S/C13H21O3P/c1-4-11-8-7-9-12(13(11)5-2)10-17(14,15)16-6-3/h7-9H,4-6,10H2,1-3H3,(H,14,15)
InChIKeyADCIORQVNMPLIF-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.53
Rot. Bonds6

About (2,3-diethylphenyl)methyl-ethoxyphosphinic acid

(2,3-diethylphenyl)methyl-ethoxyphosphinic acid (PubChem CID 118483625) has the molecular formula C13H21O3P and a molecular weight of 256.28 g/mol. Its IUPAC name is (2,3-diethylphenyl)methyl-ethoxyphosphinic acid.

Molecular Properties

Compound Name(2,3-diethylphenyl)methyl-ethoxyphosphinic acid
PubChem CID118483625
Molecular FormulaC13H21O3P
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name(2,3-diethylphenyl)methyl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)Cc1cccc(CC)c1CC
InChIInChI=1S/C13H21O3P/c1-4-11-8-7-9-12(13(11)5-2)10-17(14,15)16-6-3/h7-9H,4-6,10H2,1-3H3,(H,14,15)
InChIKeyADCIORQVNMPLIF-UHFFFAOYSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.53
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 (2,3-diethylphenyl)methyl-ethoxyphosphinic acid?
The IUPAC name of (2,3-diethylphenyl)methyl-ethoxyphosphinic acid (CID 118483625) is (2,3-diethylphenyl)methyl-ethoxyphosphinic acid.
What is the SMILES notation for (2,3-diethylphenyl)methyl-ethoxyphosphinic acid?
The canonical SMILES for (2,3-diethylphenyl)methyl-ethoxyphosphinic acid is CCOP(=O)(O)Cc1cccc(CC)c1CC.
What is the InChIKey of (2,3-diethylphenyl)methyl-ethoxyphosphinic acid?
The InChIKey is ADCIORQVNMPLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O3P/c1-4-11-8-7-9-12(13(11)5-2)10-17(14,15)16-6-3/h7-9H,4-6,10H2,1-3H3,(H,14,15).
What are the key properties of (2,3-diethylphenyl)methyl-ethoxyphosphinic acid?
(2,3-diethylphenyl)methyl-ethoxyphosphinic acid has a molecular weight of 256.28 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethylphenyl)methyl-ethoxyphosphinic acid is sourced from PubChem (CID 118483625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).