3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione

C19H18O4 — CID 46848179

IUPAC3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione
SMILESCC(=O)CCC1(Cc2ccc3ccccc3c2)C(=O)COC1=O
InChIInChI=1S/C19H18O4/c1-13(20)8-9-19(17(21)12-23-18(19)22)11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10H,8-9,11-12H2,1H3
InChIKeyHKHYNNAWNAHLPA-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.86
Rot. Bonds5

About 3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione

3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione (PubChem CID 46848179) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione
PubChem CID46848179
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione
SMILESCC(=O)CCC1(Cc2ccc3ccccc3c2)C(=O)COC1=O
InChIInChI=1S/C19H18O4/c1-13(20)8-9-19(17(21)12-23-18(19)22)11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10H,8-9,11-12H2,1H3
InChIKeyHKHYNNAWNAHLPA-UHFFFAOYSA-N
XLogP2.86
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione 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 3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione?
The IUPAC name of 3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione (CID 46848179) is 3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione.
What is the SMILES notation for 3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione?
The canonical SMILES for 3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione is CC(=O)CCC1(Cc2ccc3ccccc3c2)C(=O)COC1=O.
What is the InChIKey of 3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione?
The InChIKey is HKHYNNAWNAHLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-13(20)8-9-19(17(21)12-23-18(19)22)11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione?
3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione has a molecular weight of 310.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethyl)-3-(3-oxobutyl)oxolane-2,4-dione is sourced from PubChem (CID 46848179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).