(6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid

C11H11O7P — CID 150972159

IUPAC(6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid
SMILESCOc1ccc2cc(C(=O)OCP(=O)(O)O)oc2c1
InChIInChI=1S/C11H11O7P/c1-16-8-3-2-7-4-10(18-9(7)5-8)11(12)17-6-19(13,14)15/h2-5H,6H2,1H3,(H2,13,14,15)
InChIKeyLOIHKMZAAYGFGR-UHFFFAOYSA-N
MW286.18 g/mol
LogP1.73
Rot. Bonds4

About (6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid

(6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid (PubChem CID 150972159) has the molecular formula C11H11O7P and a molecular weight of 286.18 g/mol. Its IUPAC name is (6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid.

Molecular Properties

Compound Name(6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid
PubChem CID150972159
Molecular FormulaC11H11O7P
Molecular Weight286.18 g/mol
Exact Mass286.02
IUPAC Name(6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid
SMILESCOc1ccc2cc(C(=O)OCP(=O)(O)O)oc2c1
InChIInChI=1S/C11H11O7P/c1-16-8-3-2-7-4-10(18-9(7)5-8)11(12)17-6-19(13,14)15/h2-5H,6H2,1H3,(H2,13,14,15)
InChIKeyLOIHKMZAAYGFGR-UHFFFAOYSA-N
XLogP1.73
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethoxyphosphorylmethyl 6-methoxy-1-benzofuran-2-carboxylate
CID 71578016
(6-methoxycarbonyl-1-benzofuran-2-carbonyl)oxymethylphosphonic acid
CID 71577616
3-piperidin-4-ylpropyl 6-methoxy-1-benzofuran-2-carboxylate
CID 171781666
methyl 6-butoxy-1-benzofuran-2-carboxylate
CID 70308418
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
CID 10031094
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
(6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226723
methyl 6-(oxiran-2-ylmethoxy)-1-benzofuran-2-carboxylate
CID 146098589
(3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone
CID 11012943
2-hydroxyethyl 7-methoxy-2-oxochromene-3-carboxylate
CID 11651849
N-(6-methoxy-1-benzofuran-2-yl)acetamide
CID 173334663
methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate
CID 84778259

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid?
The IUPAC name of (6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid (CID 150972159) is (6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid.
What is the SMILES notation for (6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid?
The canonical SMILES for (6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid is COc1ccc2cc(C(=O)OCP(=O)(O)O)oc2c1.
What is the InChIKey of (6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid?
The InChIKey is LOIHKMZAAYGFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O7P/c1-16-8-3-2-7-4-10(18-9(7)5-8)11(12)17-6-19(13,14)15/h2-5H,6H2,1H3,(H2,13,14,15).
What are the key properties of (6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid?
(6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid has a molecular weight of 286.18 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid is sourced from PubChem (CID 150972159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).