methyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate

C11H17O7P — CID 134693354

IUPACmethyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate
SMILESCCOP(=O)(OCC)C(O)c1occc1C(=O)OC
InChIInChI=1S/C11H17O7P/c1-4-17-19(14,18-5-2)11(13)9-8(6-7-16-9)10(12)15-3/h6-7,11,13H,4-5H2,1-3H3
InChIKeyFKBIXHPPHQHRLD-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.32
Rot. Bonds7

About methyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate

methyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate (PubChem CID 134693354) has the molecular formula C11H17O7P and a molecular weight of 292.22 g/mol. Its IUPAC name is methyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate
PubChem CID134693354
Molecular FormulaC11H17O7P
Molecular Weight292.22 g/mol
Exact Mass292.07
IUPAC Namemethyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate
SMILESCCOP(=O)(OCC)C(O)c1occc1C(=O)OC
InChIInChI=1S/C11H17O7P/c1-4-17-19(14,18-5-2)11(13)9-8(6-7-16-9)10(12)15-3/h6-7,11,13H,4-5H2,1-3H3
InChIKeyFKBIXHPPHQHRLD-UHFFFAOYSA-N
XLogP2.32
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-propylfuran-3-carboxylate
CID 15686850
methyl 2-hydroxyfuran-3-carboxylate
CID 137156283
(3-methoxycarbonylfuran-2-yl)methylazanium
CID 7022982
methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate
CID 102400051
methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate
CID 115772273
methyl 4-[bis(phenylmethoxy)phosphoryl-hydroxymethyl]benzoate
CID 102186420
methyl 4-(2-diethoxyphosphorylacetyl)benzoate
CID 86060714
(1-bromonaphthalen-2-yl)-diethoxyphosphorylmethanol
CID 86605950
dimethyl benzene-1,2-dicarboxylate;propane-1,2,3-triol
CID 66751343
N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide
CID 106152130
3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472
3-[(3-methoxycarbonylfuran-2-yl)methylsulfanyl]propanoic acid
CID 43093018

Frequently Asked Questions

What is the IUPAC name of methyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate (CID 134693354) is methyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate is CCOP(=O)(OCC)C(O)c1occc1C(=O)OC.
What is the InChIKey of methyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate?
The InChIKey is FKBIXHPPHQHRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O7P/c1-4-17-19(14,18-5-2)11(13)9-8(6-7-16-9)10(12)15-3/h6-7,11,13H,4-5H2,1-3H3.
What are the key properties of methyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate?
methyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate has a molecular weight of 292.22 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate is sourced from PubChem (CID 134693354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).