methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate

C17H18O8 — CID 2522067

IUPACmethyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc(OC)c(OC)c2OC)o1
InChIInChI=1S/C17H18O8/c1-20-12-8-6-11(14(21-2)15(12)22-3)16(18)24-9-10-5-7-13(25-10)17(19)23-4/h5-8H,9H2,1-4H3
InChIKeyVFZDVXQYVRTSLR-UHFFFAOYSA-N
MW350.32 g/mol
LogP2.45
Rot. Bonds7

About methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate

methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate (PubChem CID 2522067) has the molecular formula C17H18O8 and a molecular weight of 350.32 g/mol. Its IUPAC name is methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate
PubChem CID2522067
Molecular FormulaC17H18O8
Molecular Weight350.32 g/mol
Exact Mass350.10
IUPAC Namemethyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc(OC)c(OC)c2OC)o1
InChIInChI=1S/C17H18O8/c1-20-12-8-6-11(14(21-2)15(12)22-3)16(18)24-9-10-5-7-13(25-10)17(19)23-4/h5-8H,9H2,1-4H3
InChIKeyVFZDVXQYVRTSLR-UHFFFAOYSA-N
XLogP2.45
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-[(4,5-dimethoxy-2-nitrobenzoyl)oxymethyl]furan-2-carboxylate
CID 2530772
methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 9125878
methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2516450
methyl 5-[[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxymethyl]furan-2-carboxylate
CID 7704176
methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate
CID 2606973
methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 7695683
(3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate
CID 52875979
(5-methoxycarbonylfuran-2-yl)methyl 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7175370
methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2602831
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632
2-[2-[2-[2-(2,3,4-trimethoxybenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2,3,4-trimethoxybenzoate
CID 139804932
methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 4193916

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate (CID 2522067) is methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)c2ccc(OC)c(OC)c2OC)o1.
What is the InChIKey of methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate?
The InChIKey is VFZDVXQYVRTSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O8/c1-20-12-8-6-11(14(21-2)15(12)22-3)16(18)24-9-10-5-7-13(25-10)17(19)23-4/h5-8H,9H2,1-4H3.
What are the key properties of methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate?
methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate has a molecular weight of 350.32 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 2522067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).