diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate

C17H18O6 — CID 102318443

IUPACdiethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate
SMILESCCOC(=O)c1oc(C)c(C(=O)OCC)c1-c1ccc(O)cc1
InChIInChI=1S/C17H18O6/c1-4-21-16(19)13-10(3)23-15(17(20)22-5-2)14(13)11-6-8-12(18)9-7-11/h6-9,18H,4-5H2,1-3H3
InChIKeyMNFCLZPHJFCSHS-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.31
Rot. Bonds5

About diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate

diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate (PubChem CID 102318443) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate
PubChem CID102318443
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Namediethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate
SMILESCCOC(=O)c1oc(C)c(C(=O)OCC)c1-c1ccc(O)cc1
InChIInChI=1S/C17H18O6/c1-4-21-16(19)13-10(3)23-15(17(20)22-5-2)14(13)11-6-8-12(18)9-7-11/h6-9,18H,4-5H2,1-3H3
InChIKeyMNFCLZPHJFCSHS-UHFFFAOYSA-N
XLogP3.31
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromene-2-carboxylate
CID 15486887
ethane;ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 170599419
ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate
CID 5380187
ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867655
ethyl 4-hydroxy-5-methyl-2-phenylfuran-3-carboxylate
CID 117059608
ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate
CID 11056368
ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate
CID 14957307
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate
CID 139227066
ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate
CID 10406161
ethyl 2-ethyl-5-methyl-6-oxo-4-phenylpyran-3-carboxylate
CID 101231625
ethyl 5-chloro-2-hydroxy-3,6-dimethyl-4-phenylbenzoate
CID 101384022

Frequently Asked Questions

What is the IUPAC name of diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate?
The IUPAC name of diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate (CID 102318443) is diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate.
What is the SMILES notation for diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate?
The canonical SMILES for diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate is CCOC(=O)c1oc(C)c(C(=O)OCC)c1-c1ccc(O)cc1.
What is the InChIKey of diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate?
The InChIKey is MNFCLZPHJFCSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O6/c1-4-21-16(19)13-10(3)23-15(17(20)22-5-2)14(13)11-6-8-12(18)9-7-11/h6-9,18H,4-5H2,1-3H3.
What are the key properties of diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate?
diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate has a molecular weight of 318.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate is sourced from PubChem (CID 102318443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).