1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid

C11H13O4P — CID 86095928

IUPAC1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)Cc1cc2ccccc2o1
InChIInChI=1S/C11H13O4P/c1-2-14-16(12,13)8-10-7-9-5-3-4-6-11(9)15-10/h3-7H,2,8H2,1H3,(H,12,13)
InChIKeyGJMCVDFIGNBVKX-UHFFFAOYSA-N
MW240.19 g/mol
LogP3.15
Rot. Bonds4

About 1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid

1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid (PubChem CID 86095928) has the molecular formula C11H13O4P and a molecular weight of 240.19 g/mol. Its IUPAC name is 1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid.

Molecular Properties

Compound Name1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid
PubChem CID86095928
Molecular FormulaC11H13O4P
Molecular Weight240.19 g/mol
Exact Mass240.06
IUPAC Name1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)Cc1cc2ccccc2o1
InChIInChI=1S/C11H13O4P/c1-2-14-16(12,13)8-10-7-9-5-3-4-6-11(9)15-10/h3-7H,2,8H2,1H3,(H,12,13)
InChIKeyGJMCVDFIGNBVKX-UHFFFAOYSA-N
XLogP3.15
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-diethoxyphosphorylchromen-2-one
CID 11323513
anthracen-1-ylmethyl(ethoxy)phosphinic acid
CID 141159186
1-benzofuran-2-ylmethyl 2-ethylbutanoate
CID 86918284
ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid
CID 87885614
2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
CID 156725408
CID 156725408
[5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid
CID 11507607
2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid
CID 65063124
ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
CID 53397244
N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide
CID 110732893
N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 30734803
2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran
CID 10044163

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid?
The IUPAC name of 1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid (CID 86095928) is 1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid.
What is the SMILES notation for 1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid?
The canonical SMILES for 1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid is CCOP(=O)(O)Cc1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid?
The InChIKey is GJMCVDFIGNBVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O4P/c1-2-14-16(12,13)8-10-7-9-5-3-4-6-11(9)15-10/h3-7H,2,8H2,1H3,(H,12,13).
What are the key properties of 1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid?
1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid has a molecular weight of 240.19 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid is sourced from PubChem (CID 86095928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).