[(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate

C16H20O3 — CID 134861725

IUPAC[(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate
SMILESCC(=O)OCC[C@@H](C)C1CCc2ccccc2C1=O
InChIInChI=1S/C16H20O3/c1-11(9-10-19-12(2)17)14-8-7-13-5-3-4-6-15(13)16(14)18/h3-6,11,14H,7-10H2,1-2H3/t11-,14?/m1/s1
InChIKeyUHLUZYHSNFCQFE-YNODCEANSA-N
MW260.33 g/mol
LogP3.02
Rot. Bonds4

About [(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate

[(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate (PubChem CID 134861725) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is [(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate.

Molecular Properties

Compound Name[(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate
PubChem CID134861725
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name[(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate
SMILESCC(=O)OCC[C@@H](C)C1CCc2ccccc2C1=O
InChIInChI=1S/C16H20O3/c1-11(9-10-19-12(2)17)14-8-7-13-5-3-4-6-15(13)16(14)18/h3-6,11,14H,7-10H2,1-2H3/t11-,14?/m1/s1
InChIKeyUHLUZYHSNFCQFE-YNODCEANSA-N
XLogP3.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate?
The IUPAC name of [(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate (CID 134861725) is [(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate.
What is the SMILES notation for [(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate?
The canonical SMILES for [(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate is CC(=O)OCC[C@@H](C)C1CCc2ccccc2C1=O.
What is the InChIKey of [(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate?
The InChIKey is UHLUZYHSNFCQFE-YNODCEANSA-N. The full InChI is InChI=1S/C16H20O3/c1-11(9-10-19-12(2)17)14-8-7-13-5-3-4-6-15(13)16(14)18/h3-6,11,14H,7-10H2,1-2H3/t11-,14?/m1/s1.
What are the key properties of [(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate?
[(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate has a molecular weight of 260.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)butyl] acetate is sourced from PubChem (CID 134861725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).