dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate

C19H14O7 — CID 8018328

IUPACdimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OC(=O)c2cc3ccccc3o2)cc(C(=O)OC)c1
InChIInChI=1S/C19H14O7/c1-23-17(20)12-7-13(18(21)24-2)9-14(8-12)25-19(22)16-10-11-5-3-4-6-15(11)26-16/h3-10H,1-2H3
InChIKeyQLKIZTCWGDNTDA-UHFFFAOYSA-N
MW354.31 g/mol
LogP3.23
Rot. Bonds4

About dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate

dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate (PubChem CID 8018328) has the molecular formula C19H14O7 and a molecular weight of 354.31 g/mol. Its IUPAC name is dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate
PubChem CID8018328
Molecular FormulaC19H14O7
Molecular Weight354.31 g/mol
Exact Mass354.07
IUPAC Namedimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OC(=O)c2cc3ccccc3o2)cc(C(=O)OC)c1
InChIInChI=1S/C19H14O7/c1-23-17(20)12-7-13(18(21)24-2)9-14(8-12)25-19(22)16-10-11-5-3-4-6-15(11)26-16/h3-10H,1-2H3
InChIKeyQLKIZTCWGDNTDA-UHFFFAOYSA-N
XLogP3.23
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
[4-(4-methylphenyl)phenyl] 1-benzofuran-2-carboxylate
CID 19189316
(4-iodophenyl) 1-benzofuran-2-carboxylate
CID 1220129
[1-benzofuran-2-yl(methoxy)methylidene]chromium
CID 134878936
5-O-methyl 1-O,3-O-diphenyl benzene-1,3,5-tricarboxylate
CID 71365622
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
1-(1-benzofuran-2-yl)ethanone
CID 15435
(2-bromophenyl) 1-benzofuran-2-carboxylate
CID 17391637
dimethyl 5-(2-fluorobenzoyl)oxybenzene-1,3-dicarboxylate
CID 2462733
dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate
CID 2463089
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-benzofuran-2-carboxylate
CID 33186848
methyl 6-fluoro-1-benzofuran-2-carboxylate
CID 118988296

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate (CID 8018328) is dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate is COC(=O)c1cc(OC(=O)c2cc3ccccc3o2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate?
The InChIKey is QLKIZTCWGDNTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O7/c1-23-17(20)12-7-13(18(21)24-2)9-14(8-12)25-19(22)16-10-11-5-3-4-6-15(11)26-16/h3-10H,1-2H3.
What are the key properties of dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate?
dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate has a molecular weight of 354.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate is sourced from PubChem (CID 8018328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).