6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one

C16H18O4 — CID 104693520

IUPAC6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCC(=O)C3CCOC3)ccc21
InChIInChI=1S/C16H18O4/c17-15-3-1-2-11-8-13(4-5-14(11)15)20-10-16(18)12-6-7-19-9-12/h4-5,8,12H,1-3,6-7,9-10H2
InChIKeyRFPRUJKQVOLEPK-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.19
Rot. Bonds4

About 6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one

6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 104693520) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID104693520
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCC(=O)C3CCOC3)ccc21
InChIInChI=1S/C16H18O4/c17-15-3-1-2-11-8-13(4-5-14(11)15)20-10-16(18)12-6-7-19-9-12/h4-5,8,12H,1-3,6-7,9-10H2
InChIKeyRFPRUJKQVOLEPK-UHFFFAOYSA-N
XLogP2.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 104693520) is 6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(OCC(=O)C3CCOC3)ccc21.
What is the InChIKey of 6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RFPRUJKQVOLEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c17-15-3-1-2-11-8-13(4-5-14(11)15)20-10-16(18)12-6-7-19-9-12/h4-5,8,12H,1-3,6-7,9-10H2.
What are the key properties of 6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 274.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 104693520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).