methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate

C12H13O4P — CID 20708429

IUPACmethyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate
SMILESCOC(=O)Cc1c(C)oc2c(OP)cccc12
InChIInChI=1S/C12H13O4P/c1-7-9(6-11(13)14-2)8-4-3-5-10(16-17)12(8)15-7/h3-5H,6,17H2,1-2H3
InChIKeyWYFUHFMPKZGNIH-UHFFFAOYSA-N
MW252.21 g/mol
LogP2.63
Rot. Bonds3

About methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate

methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate (PubChem CID 20708429) has the molecular formula C12H13O4P and a molecular weight of 252.21 g/mol. Its IUPAC name is methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate
PubChem CID20708429
Molecular FormulaC12H13O4P
Molecular Weight252.21 g/mol
Exact Mass252.06
IUPAC Namemethyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate
SMILESCOC(=O)Cc1c(C)oc2c(OP)cccc12
InChIInChI=1S/C12H13O4P/c1-7-9(6-11(13)14-2)8-4-3-5-10(16-17)12(8)15-7/h3-5H,6,17H2,1-2H3
InChIKeyWYFUHFMPKZGNIH-UHFFFAOYSA-N
XLogP2.63
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide
CID 20708391
methyl 2-[[3-(2-azidoethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetate
CID 20708432
2-[[3-(methanesulfonamidomethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetic acid;methyl 2-[[3-(methanesulfonamidomethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetate
CID 91562799
3-(2-hydroxyethyl)-2-methyl-1-benzofuran-7-ol;methyl 2-[[3-(2-azidoethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetate
CID 91305588
2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid
CID 18351711
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
methyl 2-[[3-(2-hydroxyethyl)-2-[(E)-prop-1-enyl]-1-benzofuran-7-yl]oxy]acetate
CID 11266259
methyl 2-(2-bromobenzo[e][1]benzofuran-1-yl)acetate
CID 4907957
methyl 3-(2-methoxy-2-oxoethyl)-1-benzofuran-2-carboxylate
CID 10514679
actinium;[7-(2-methoxy-2-oxoethoxy)-2-propan-2-yl-1-benzofuran-3-yl]methylazanide
CID 20708348
methyl 2-(2-amino-6-ethoxyphenyl)acetate
CID 84676806
3-(2,7-dimethyl-1-benzofuran-3-yl)propanoic acid
CID 83910179

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate (CID 20708429) is methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate is COC(=O)Cc1c(C)oc2c(OP)cccc12.
What is the InChIKey of methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate?
The InChIKey is WYFUHFMPKZGNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O4P/c1-7-9(6-11(13)14-2)8-4-3-5-10(16-17)12(8)15-7/h3-5H,6,17H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate?
methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate has a molecular weight of 252.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 20708429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).