dimethyl dibenzofuran-1,2-dicarboxylate

C16H12O5 — CID 18366725

IUPACdimethyl dibenzofuran-1,2-dicarboxylate
SMILESCOC(=O)c1ccc2oc3ccccc3c2c1C(=O)OC
InChIInChI=1S/C16H12O5/c1-19-15(17)10-7-8-12-13(14(10)16(18)20-2)9-5-3-4-6-11(9)21-12/h3-8H,1-2H3
InChIKeyIULVZBJVBQFSFM-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.16
Rot. Bonds2

About dimethyl dibenzofuran-1,2-dicarboxylate

dimethyl dibenzofuran-1,2-dicarboxylate (PubChem CID 18366725) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is dimethyl dibenzofuran-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl dibenzofuran-1,2-dicarboxylate
PubChem CID18366725
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Namedimethyl dibenzofuran-1,2-dicarboxylate
SMILESCOC(=O)c1ccc2oc3ccccc3c2c1C(=O)OC
InChIInChI=1S/C16H12O5/c1-19-15(17)10-7-8-12-13(14(10)16(18)20-2)9-5-3-4-6-11(9)21-12/h3-8H,1-2H3
InChIKeyIULVZBJVBQFSFM-UHFFFAOYSA-N
XLogP3.16
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-aminodibenzofuran-1-carboxylic acid;methyl 2-aminodibenzofuran-1-carboxylate
CID 158161401
methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate
CID 19030293
methyl dibenzofuran-2-carboxylate
CID 3702628
methyl 2-dibenzofuran-1-yl-5-sulfanylbenzoate
CID 163510552
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 2-dibenzofuran-1-yl-5-phenylbenzoate
CID 154647061
methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate
CID 46873555
dimethyl 9-hydroxy-6-oxo-7-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate
CID 54768421
methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate
CID 122490038
methyl 6-acetyloxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate
CID 67605191
methyl 2-(acetamidomethyl)-1-benzofuran-3-carboxylate
CID 162368634
ethyl dibenzofuran-1-carboxylate
CID 11858911

Frequently Asked Questions

What is the IUPAC name of dimethyl dibenzofuran-1,2-dicarboxylate?
The IUPAC name of dimethyl dibenzofuran-1,2-dicarboxylate (CID 18366725) is dimethyl dibenzofuran-1,2-dicarboxylate.
What is the SMILES notation for dimethyl dibenzofuran-1,2-dicarboxylate?
The canonical SMILES for dimethyl dibenzofuran-1,2-dicarboxylate is COC(=O)c1ccc2oc3ccccc3c2c1C(=O)OC.
What is the InChIKey of dimethyl dibenzofuran-1,2-dicarboxylate?
The InChIKey is IULVZBJVBQFSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-19-15(17)10-7-8-12-13(14(10)16(18)20-2)9-5-3-4-6-11(9)21-12/h3-8H,1-2H3.
What are the key properties of dimethyl dibenzofuran-1,2-dicarboxylate?
dimethyl dibenzofuran-1,2-dicarboxylate has a molecular weight of 284.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl dibenzofuran-1,2-dicarboxylate is sourced from PubChem (CID 18366725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).