3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one

C16H16O4 — CID 63365343

IUPAC3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one
SMILESC[C@@H](O)c1ccc2ccccc2c1OC1CCOC1=O
InChIInChI=1S/C16H16O4/c1-10(17)12-7-6-11-4-2-3-5-13(11)15(12)20-14-8-9-19-16(14)18/h2-7,10,14,17H,8-9H2,1H3/t10-,14?/m1/s1
InChIKeyJHKBCKTVWQTWRJ-IAPIXIRKSA-N
MW272.30 g/mol
LogP2.59
Rot. Bonds3

About 3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one

3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one (PubChem CID 63365343) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one.

Molecular Properties

Compound Name3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one
PubChem CID63365343
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one
SMILESC[C@@H](O)c1ccc2ccccc2c1OC1CCOC1=O
InChIInChI=1S/C16H16O4/c1-10(17)12-7-6-11-4-2-3-5-13(11)15(12)20-14-8-9-19-16(14)18/h2-7,10,14,17H,8-9H2,1H3/t10-,14?/m1/s1
InChIKeyJHKBCKTVWQTWRJ-IAPIXIRKSA-N
XLogP2.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one?
The IUPAC name of 3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one (CID 63365343) is 3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one.
What is the SMILES notation for 3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one?
The canonical SMILES for 3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one is C[C@@H](O)c1ccc2ccccc2c1OC1CCOC1=O.
What is the InChIKey of 3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one?
The InChIKey is JHKBCKTVWQTWRJ-IAPIXIRKSA-N. The full InChI is InChI=1S/C16H16O4/c1-10(17)12-7-6-11-4-2-3-5-13(11)15(12)20-14-8-9-19-16(14)18/h2-7,10,14,17H,8-9H2,1H3/t10-,14?/m1/s1.
What are the key properties of 3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one?
3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one has a molecular weight of 272.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxyoxolan-2-one is sourced from PubChem (CID 63365343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).