[(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate

C15H12O6 — CID 8728569

IUPAC[(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate
SMILESCc1ccc2oc(C(=O)O[C@H]3CCOC3=O)cc(=O)c2c1
InChIInChI=1S/C15H12O6/c1-8-2-3-11-9(6-8)10(16)7-13(20-11)15(18)21-12-4-5-19-14(12)17/h2-3,6-7,12H,4-5H2,1H3/t12-/m0/s1
InChIKeyNLZIJHTWODCEMC-LBPRGKRZSA-N
MW288.25 g/mol
LogP1.57
Rot. Bonds2

About [(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate

[(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate (PubChem CID 8728569) has the molecular formula C15H12O6 and a molecular weight of 288.25 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate
PubChem CID8728569
Molecular FormulaC15H12O6
Molecular Weight288.25 g/mol
Exact Mass288.06
IUPAC Name[(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate
SMILESCc1ccc2oc(C(=O)O[C@H]3CCOC3=O)cc(=O)c2c1
InChIInChI=1S/C15H12O6/c1-8-2-3-11-9(6-8)10(16)7-13(20-11)15(18)21-12-4-5-19-14(12)17/h2-3,6-7,12H,4-5H2,1H3/t12-/m0/s1
InChIKeyNLZIJHTWODCEMC-LBPRGKRZSA-N
XLogP1.57
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate (CID 8728569) is [(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate is Cc1ccc2oc(C(=O)O[C@H]3CCOC3=O)cc(=O)c2c1.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate?
The InChIKey is NLZIJHTWODCEMC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H12O6/c1-8-2-3-11-9(6-8)10(16)7-13(20-11)15(18)21-12-4-5-19-14(12)17/h2-3,6-7,12H,4-5H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate?
[(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate has a molecular weight of 288.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate is sourced from PubChem (CID 8728569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).