dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate

C15H14O5 — CID 141186946

IUPACdimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate
SMILESCOC(=O)c1coc(-c2cccc(C)c2)c1C(=O)OC
InChIInChI=1S/C15H14O5/c1-9-5-4-6-10(7-9)13-12(15(17)19-3)11(8-20-13)14(16)18-2/h4-8H,1-3H3
InChIKeyJJQQKLFMGXHWMS-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.83
Rot. Bonds3

About dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate

dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate (PubChem CID 141186946) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate
PubChem CID141186946
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Namedimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate
SMILESCOC(=O)c1coc(-c2cccc(C)c2)c1C(=O)OC
InChIInChI=1S/C15H14O5/c1-9-5-4-6-10(7-9)13-12(15(17)19-3)11(8-20-13)14(16)18-2/h4-8H,1-3H3
InChIKeyJJQQKLFMGXHWMS-UHFFFAOYSA-N
XLogP2.83
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate
CID 11770872
methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate
CID 101099936
dimethyl 2-(2-methylphenyl)furan-3,4-dicarboxylate
CID 141186952
dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate
CID 14902064
methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate
CID 56955599
methyl 2-amino-3-(3-methylphenyl)benzoate
CID 171919919
methyl 2-phenyl-4-(2,3,4-trimethoxybenzoyl)furan-3-carboxylate
CID 56955596
dimethyl 3-methylbenzene-1,2-dicarboxylate;ethane
CID 144706370
methyl 5-(3-methylphenyl)pyrimidine-2-carboxylate
CID 142526825
dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate
CID 24938477
1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 82282350
methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate
CID 67694601

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate (CID 141186946) is dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate is COC(=O)c1coc(-c2cccc(C)c2)c1C(=O)OC.
What is the InChIKey of dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate?
The InChIKey is JJQQKLFMGXHWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-9-5-4-6-10(7-9)13-12(15(17)19-3)11(8-20-13)14(16)18-2/h4-8H,1-3H3.
What are the key properties of dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate?
dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate has a molecular weight of 274.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate is sourced from PubChem (CID 141186946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).