[5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid

C13H11O4PS — CID 11507607

IUPAC[5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid
SMILESO=P(O)(O)c1ccc(Cc2cc3ccccc3o2)s1
InChIInChI=1S/C13H11O4PS/c14-18(15,16)13-6-5-11(19-13)8-10-7-9-3-1-2-4-12(9)17-10/h1-7H,8H2,(H2,14,15,16)
InChIKeyMAWAZOJXNQAVQQ-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.89
Rot. Bonds3

About [5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid

[5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid (PubChem CID 11507607) has the molecular formula C13H11O4PS and a molecular weight of 294.27 g/mol. Its IUPAC name is [5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid.

Molecular Properties

Compound Name[5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid
PubChem CID11507607
Molecular FormulaC13H11O4PS
Molecular Weight294.27 g/mol
Exact Mass294.01
IUPAC Name[5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid
SMILESO=P(O)(O)c1ccc(Cc2cc3ccccc3o2)s1
InChIInChI=1S/C13H11O4PS/c14-18(15,16)13-6-5-11(19-13)8-10-7-9-3-1-2-4-12(9)17-10/h1-7H,8H2,(H2,14,15,16)
InChIKeyMAWAZOJXNQAVQQ-UHFFFAOYSA-N
XLogP2.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid
CID 86095928
CID 156725408
CID 156725408
2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
1-(1-benzofuran-2-yl)propan-2-imine
CID 91044336
N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 30734803
3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid
CID 65062614
N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide
CID 87018603
N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
CID 110732890
2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride
CID 119032828
4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde
CID 82374154
2-[(2-methoxyphenyl)methyl]-1-benzofuran
CID 21435281

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid?
The IUPAC name of [5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid (CID 11507607) is [5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid.
What is the SMILES notation for [5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid?
The canonical SMILES for [5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid is O=P(O)(O)c1ccc(Cc2cc3ccccc3o2)s1.
What is the InChIKey of [5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid?
The InChIKey is MAWAZOJXNQAVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11O4PS/c14-18(15,16)13-6-5-11(19-13)8-10-7-9-3-1-2-4-12(9)17-10/h1-7H,8H2,(H2,14,15,16).
What are the key properties of [5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid?
[5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid has a molecular weight of 294.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid is sourced from PubChem (CID 11507607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).