(2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone

C16H21FO2 — CID 106883236

IUPAC(2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCc1cc(C)c(C(=O)C2C(C)OC(C)C2C)c(F)c1
InChIInChI=1S/C16H21FO2/c1-8-6-9(2)14(13(17)7-8)16(18)15-10(3)11(4)19-12(15)5/h6-7,10-12,15H,1-5H3
InChIKeyBGWDHPXWMMUFQZ-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.68
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone

(2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 106883236) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID106883236
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCc1cc(C)c(C(=O)C2C(C)OC(C)C2C)c(F)c1
InChIInChI=1S/C16H21FO2/c1-8-6-9(2)14(13(17)7-8)16(18)15-10(3)11(4)19-12(15)5/h6-7,10-12,15H,1-5H3
InChIKeyBGWDHPXWMMUFQZ-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone 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 (2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone (CID 106883236) is (2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone is Cc1cc(C)c(C(=O)C2C(C)OC(C)C2C)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is BGWDHPXWMMUFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c1-8-6-9(2)14(13(17)7-8)16(18)15-10(3)11(4)19-12(15)5/h6-7,10-12,15H,1-5H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
(2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 264.34 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 106883236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).