dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate

C16H16O7 — CID 10758019

IUPACdimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate
SMILESCOCc1cc(-c2ccco2)c(C(=O)OC)c(O)c1C(=O)OC
InChIInChI=1S/C16H16O7/c1-20-8-9-7-10(11-5-4-6-23-11)13(16(19)22-3)14(17)12(9)15(18)21-2/h4-7,17H,8H2,1-3H3
InChIKeyYDEGSEFQZYFLAS-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.37
Rot. Bonds5

About dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate

dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate (PubChem CID 10758019) has the molecular formula C16H16O7 and a molecular weight of 320.30 g/mol. Its IUPAC name is dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate
PubChem CID10758019
Molecular FormulaC16H16O7
Molecular Weight320.30 g/mol
Exact Mass320.09
IUPAC Namedimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate
SMILESCOCc1cc(-c2ccco2)c(C(=O)OC)c(O)c1C(=O)OC
InChIInChI=1S/C16H16O7/c1-20-8-9-7-10(11-5-4-6-23-11)13(16(19)22-3)14(17)12(9)15(18)21-2/h4-7,17H,8H2,1-3H3
InChIKeyYDEGSEFQZYFLAS-UHFFFAOYSA-N
XLogP2.37
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate
CID 102392505
dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate
CID 73293692
methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975
methyl 2-(furan-2-yl)-5-methylbenzoate
CID 168524395
methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate
CID 168528080
dimethyl 4-chloro-3-(furan-2-yl)-6-hydroxy-5-methylbenzene-1,2-dicarboxylate
CID 134839682
methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate
CID 102014884
methyl 2-fluoro-6-(furan-2-yl)-3-nitrobenzoate
CID 168526633
methyl 2-[4-(furan-2-yl)phenyl]acetate
CID 168524506
methyl 4-(furan-2-yl)quinoline-7-carboxylate
CID 71742561
methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate
CID 102416721
dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 758247

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate (CID 10758019) is dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate is COCc1cc(-c2ccco2)c(C(=O)OC)c(O)c1C(=O)OC.
What is the InChIKey of dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate?
The InChIKey is YDEGSEFQZYFLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O7/c1-20-8-9-7-10(11-5-4-6-23-11)13(16(19)22-3)14(17)12(9)15(18)21-2/h4-7,17H,8H2,1-3H3.
What are the key properties of dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate?
dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate has a molecular weight of 320.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate is sourced from PubChem (CID 10758019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).