[(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate

C16H14O5 — CID 8595816

IUPAC[(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate
SMILESCOc1ccc(C(=O)O[C@H]2CCOC2=O)c2ccccc12
InChIInChI=1S/C16H14O5/c1-19-13-7-6-12(10-4-2-3-5-11(10)13)15(17)21-14-8-9-20-16(14)18/h2-7,14H,8-9H2,1H3/t14-/m0/s1
InChIKeyBEYLLPYETLOOHQ-AWEZNQCLSA-N
MW286.28 g/mol
LogP2.32
Rot. Bonds3

About [(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate

[(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate (PubChem CID 8595816) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate
PubChem CID8595816
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name[(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate
SMILESCOc1ccc(C(=O)O[C@H]2CCOC2=O)c2ccccc12
InChIInChI=1S/C16H14O5/c1-19-13-7-6-12(10-4-2-3-5-11(10)13)15(17)21-14-8-9-20-16(14)18/h2-7,14H,8-9H2,1H3/t14-/m0/s1
InChIKeyBEYLLPYETLOOHQ-AWEZNQCLSA-N
XLogP2.32
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate (CID 8595816) is [(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate is COc1ccc(C(=O)O[C@H]2CCOC2=O)c2ccccc12.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate?
The InChIKey is BEYLLPYETLOOHQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14O5/c1-19-13-7-6-12(10-4-2-3-5-11(10)13)15(17)21-14-8-9-20-16(14)18/h2-7,14H,8-9H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate?
[(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate has a molecular weight of 286.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate is sourced from PubChem (CID 8595816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).