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

C15H19FO2 — CID 115787527

IUPAC(3-fluoro-5-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCc1cc(F)cc(C(=O)C2C(C)OC(C)C2C)c1
InChIInChI=1S/C15H19FO2/c1-8-5-12(7-13(16)6-8)15(17)14-9(2)10(3)18-11(14)4/h5-7,9-11,14H,1-4H3
InChIKeyMKHAGEJYRPZKSQ-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.38
Rot. Bonds2

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

(3-fluoro-5-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 115787527) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID115787527
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name(3-fluoro-5-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCc1cc(F)cc(C(=O)C2C(C)OC(C)C2C)c1
InChIInChI=1S/C15H19FO2/c1-8-5-12(7-13(16)6-8)15(17)14-9(2)10(3)18-11(14)4/h5-7,9-11,14H,1-4H3
InChIKeyMKHAGEJYRPZKSQ-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-fluoro-5-methylphenyl)-(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 (3-fluoro-5-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of (3-fluoro-5-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone (CID 115787527) is (3-fluoro-5-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone is Cc1cc(F)cc(C(=O)C2C(C)OC(C)C2C)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is MKHAGEJYRPZKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-8-5-12(7-13(16)6-8)15(17)14-9(2)10(3)18-11(14)4/h5-7,9-11,14H,1-4H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
(3-fluoro-5-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 250.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 115787527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).