2-methoxyethoxy(3-phenoxypropyl)phosphinic acid

C12H19O5P — CID 139679827

IUPAC2-methoxyethoxy(3-phenoxypropyl)phosphinic acid
SMILESCOCCOP(=O)(O)CCCOc1ccccc1
InChIInChI=1S/C12H19O5P/c1-15-9-10-17-18(13,14)11-5-8-16-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,13,14)
InChIKeyZKVDPVRAFFBMDD-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.30
Rot. Bonds9

About 2-methoxyethoxy(3-phenoxypropyl)phosphinic acid

2-methoxyethoxy(3-phenoxypropyl)phosphinic acid (PubChem CID 139679827) has the molecular formula C12H19O5P and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-methoxyethoxy(3-phenoxypropyl)phosphinic acid.

Molecular Properties

Compound Name2-methoxyethoxy(3-phenoxypropyl)phosphinic acid
PubChem CID139679827
Molecular FormulaC12H19O5P
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name2-methoxyethoxy(3-phenoxypropyl)phosphinic acid
SMILESCOCCOP(=O)(O)CCCOc1ccccc1
InChIInChI=1S/C12H19O5P/c1-15-9-10-17-18(13,14)11-5-8-16-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,13,14)
InChIKeyZKVDPVRAFFBMDD-UHFFFAOYSA-N
XLogP2.30
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-phenoxydodecylphosphonic acid
CID 102430070
1-methoxy-5-phenoxypentan-3-one
CID 114998471
2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 10881215
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
5-methoxy-1-phenoxypentan-2-one
CID 115601921
acetic acid;butoxybenzene
CID 162338086
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
4-methoxy-2-(phenoxymethyl)butanoic acid
CID 117236995
2-phenoxyethyl phosphono tetradecyl phosphate
CID 174879807
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
[hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol
CID 10757629
(1-methoxy-3-phenoxypropan-2-yl) dihydrogen phosphate
CID 21023120

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethoxy(3-phenoxypropyl)phosphinic acid?
The IUPAC name of 2-methoxyethoxy(3-phenoxypropyl)phosphinic acid (CID 139679827) is 2-methoxyethoxy(3-phenoxypropyl)phosphinic acid.
What is the SMILES notation for 2-methoxyethoxy(3-phenoxypropyl)phosphinic acid?
The canonical SMILES for 2-methoxyethoxy(3-phenoxypropyl)phosphinic acid is COCCOP(=O)(O)CCCOc1ccccc1.
What is the InChIKey of 2-methoxyethoxy(3-phenoxypropyl)phosphinic acid?
The InChIKey is ZKVDPVRAFFBMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O5P/c1-15-9-10-17-18(13,14)11-5-8-16-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,13,14).
What are the key properties of 2-methoxyethoxy(3-phenoxypropyl)phosphinic acid?
2-methoxyethoxy(3-phenoxypropyl)phosphinic acid has a molecular weight of 274.25 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethoxy(3-phenoxypropyl)phosphinic acid is sourced from PubChem (CID 139679827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).