(5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate

C17H12O7 — CID 8707757

IUPAC(5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc3ccccc3oc2=O)o1
InChIInChI=1S/C17H12O7/c1-21-17(20)14-7-6-11(23-14)9-22-15(18)12-8-10-4-2-3-5-13(10)24-16(12)19/h2-8H,9H2,1H3
InChIKeyKCDJHIVNLXRSKG-UHFFFAOYSA-N
MW328.28 g/mol
LogP2.53
Rot. Bonds4

About (5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate

(5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate (PubChem CID 8707757) has the molecular formula C17H12O7 and a molecular weight of 328.28 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
PubChem CID8707757
Molecular FormulaC17H12O7
Molecular Weight328.28 g/mol
Exact Mass328.06
IUPAC Name(5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc3ccccc3oc2=O)o1
InChIInChI=1S/C17H12O7/c1-21-17(20)14-7-6-11(23-14)9-22-15(18)12-8-10-4-2-3-5-13(10)24-16(12)19/h2-8H,9H2,1H3
InChIKeyKCDJHIVNLXRSKG-UHFFFAOYSA-N
XLogP2.53
TPSA95.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 52.53
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

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707731
(4-chlorophenyl)methyl 2-oxochromene-3-carboxylate
CID 962039
(4-propan-2-ylphenyl)methyl 2-oxochromene-3-carboxylate
CID 8708014
[2-(methylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3683974
[2-oxo-2-(propan-2-ylamino)ethyl] 2-oxochromene-3-carboxylate
CID 7785493
(3-fluorophenyl)methyl 2-oxochromene-3-carboxylate
CID 1264340
2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide
CID 4795712
[4-(4-nitrophenyl)sulfanylphenyl]methyl 2-oxochromene-3-carboxylate
CID 2221394
[2-oxo-2-(4-propylphenyl)ethyl] 2-oxochromene-3-carboxylate
CID 7785455
methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2602831
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7785481
methyl 5-[[2-(2-cyanophenyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 8702041

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate?
The IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate (CID 8707757) is (5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate.
What is the SMILES notation for (5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate?
The canonical SMILES for (5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate is COC(=O)c1ccc(COC(=O)c2cc3ccccc3oc2=O)o1.
What is the InChIKey of (5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate?
The InChIKey is KCDJHIVNLXRSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O7/c1-21-17(20)14-7-6-11(23-14)9-22-15(18)12-8-10-4-2-3-5-13(10)24-16(12)19/h2-8H,9H2,1H3.
What are the key properties of (5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate?
(5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate has a molecular weight of 328.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate is sourced from PubChem (CID 8707757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).