3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane

C15H20ClFO — CID 79746653

IUPAC3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane
SMILESCc1cc(C(Cl)C2C(C)OC(C)C2C)ccc1F
InChIInChI=1S/C15H20ClFO/c1-8-7-12(5-6-13(8)17)15(16)14-9(2)10(3)18-11(14)4/h5-7,9-11,14-15H,1-4H3
InChIKeyXGISZSDXGROWMZ-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.47
Rot. Bonds2

About 3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane

3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane (PubChem CID 79746653) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane.

Molecular Properties

Compound Name3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane
PubChem CID79746653
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane
SMILESCc1cc(C(Cl)C2C(C)OC(C)C2C)ccc1F
InChIInChI=1S/C15H20ClFO/c1-8-7-12(5-6-13(8)17)15(16)14-9(2)10(3)18-11(14)4/h5-7,9-11,14-15H,1-4H3
InChIKeyXGISZSDXGROWMZ-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluoro-3-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 79721558
3-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,4,5-trimethyloxolane
CID 65158343
3-[chloro-(4-chloro-2,5-dimethylphenyl)methyl]-2,4,5-trimethyloxolane
CID 65157637
4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 79747393
4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene
CID 79721901
4-[bromo-(2-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene
CID 79746904
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene
CID 55200409
3-[bromo-(4-methylphenyl)methyl]-2,4,5-trimethyloxolane
CID 65158260
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156222
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane?
The IUPAC name of 3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane (CID 79746653) is 3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane.
What is the SMILES notation for 3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane?
The canonical SMILES for 3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane is Cc1cc(C(Cl)C2C(C)OC(C)C2C)ccc1F.
What is the InChIKey of 3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane?
The InChIKey is XGISZSDXGROWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-8-7-12(5-6-13(8)17)15(16)14-9(2)10(3)18-11(14)4/h5-7,9-11,14-15H,1-4H3.
What are the key properties of 3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane?
3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane has a molecular weight of 270.77 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane is sourced from PubChem (CID 79746653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).