(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate

C18H14O7 — CID 8707731

IUPAC(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2cc3ccccc3oc2=O)oc1C
InChIInChI=1S/C18H14O7/c1-10-13(16(19)22-2)8-12(24-10)9-23-17(20)14-7-11-5-3-4-6-15(11)25-18(14)21/h3-8H,9H2,1-2H3
InChIKeyTZMPTBVSOYXAFO-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.84
Rot. Bonds4

About (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate (PubChem CID 8707731) has the molecular formula C18H14O7 and a molecular weight of 342.30 g/mol. Its IUPAC name is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
PubChem CID8707731
Molecular FormulaC18H14O7
Molecular Weight342.30 g/mol
Exact Mass342.07
IUPAC Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2cc3ccccc3oc2=O)oc1C
InChIInChI=1S/C18H14O7/c1-10-13(16(19)22-2)8-12(24-10)9-23-17(20)14-7-11-5-3-4-6-15(11)25-18(14)21/h3-8H,9H2,1-2H3
InChIKeyTZMPTBVSOYXAFO-UHFFFAOYSA-N
XLogP2.84
TPSA95.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707757
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate
CID 7722921
[2-(methylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3683974
(4-chlorophenyl)methyl 2-oxochromene-3-carboxylate
CID 962039
(4-propan-2-ylphenyl)methyl 2-oxochromene-3-carboxylate
CID 8708014
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726770
methyl 5-[(4-chlorobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2481052
[2-oxo-2-(propan-2-ylamino)ethyl] 2-oxochromene-3-carboxylate
CID 7785493
(3-fluorophenyl)methyl 2-oxochromene-3-carboxylate
CID 1264340
methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7993888
methyl 5-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7836099

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate?
The IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate (CID 8707731) is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate.
What is the SMILES notation for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate?
The canonical SMILES for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate is COC(=O)c1cc(COC(=O)c2cc3ccccc3oc2=O)oc1C.
What is the InChIKey of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate?
The InChIKey is TZMPTBVSOYXAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O7/c1-10-13(16(19)22-2)8-12(24-10)9-23-17(20)14-7-11-5-3-4-6-15(11)25-18(14)21/h3-8H,9H2,1-2H3.
What are the key properties of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate?
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate has a molecular weight of 342.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate is sourced from PubChem (CID 8707731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).