3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid

C10H15O6P — CID 18414987

IUPAC3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid
SMILESCCOP(=O)(Cc1ccoc1C(=O)O)OCC
InChIInChI=1S/C10H15O6P/c1-3-15-17(13,16-4-2)7-8-5-6-14-9(8)10(11)12/h5-6H,3-4,7H2,1-2H3,(H,11,12)
InChIKeyAFKUVYBEVNIMRK-UHFFFAOYSA-N
MW262.20 g/mol
LogP2.74
Rot. Bonds7

About 3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid

3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid (PubChem CID 18414987) has the molecular formula C10H15O6P and a molecular weight of 262.20 g/mol. Its IUPAC name is 3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid
PubChem CID18414987
Molecular FormulaC10H15O6P
Molecular Weight262.20 g/mol
Exact Mass262.06
IUPAC Name3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid
SMILESCCOP(=O)(Cc1ccoc1C(=O)O)OCC
InChIInChI=1S/C10H15O6P/c1-3-15-17(13,16-4-2)7-8-5-6-14-9(8)10(11)12/h5-6H,3-4,7H2,1-2H3,(H,11,12)
InChIKeyAFKUVYBEVNIMRK-UHFFFAOYSA-N
XLogP2.74
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(ethoxymethyl)furan-2-carboxylic acid
CID 43153128
3-(diethoxyphosphorylmethyl)-N-methylfuran-2-amine
CID 151824038
3-(but-2-enoxymethyl)furan-2-carboxylic acid
CID 76938194
3-(propan-2-ylsulfonylmethyl)furan-2-carboxylic acid
CID 60872303
3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid
CID 63698086
3-[(3-methylpentan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103244049
3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid
CID 43153146
3-(heptoxymethyl)furan-2-carboxylic acid
CID 43153152
3-[3-[3-(2-carboxyfuran-3-yl)propoxy]propyl]furan-2-carboxylic acid
CID 173422535
3-(diethoxyphosphorylmethyl)-4-nitrobenzoic acid
CID 126482181
3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid
CID 103240283
3-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 103238998

Frequently Asked Questions

What is the IUPAC name of 3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid?
The IUPAC name of 3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid (CID 18414987) is 3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid?
The canonical SMILES for 3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid is CCOP(=O)(Cc1ccoc1C(=O)O)OCC.
What is the InChIKey of 3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid?
The InChIKey is AFKUVYBEVNIMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O6P/c1-3-15-17(13,16-4-2)7-8-5-6-14-9(8)10(11)12/h5-6H,3-4,7H2,1-2H3,(H,11,12).
What are the key properties of 3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid?
3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid has a molecular weight of 262.20 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid is sourced from PubChem (CID 18414987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).