2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene

C16H14ClF3O — CID 63535402

IUPAC2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
SMILESCc1ccc(OCc2cccc(C(F)(F)F)c2)c(CCl)c1
InChIInChI=1S/C16H14ClF3O/c1-11-5-6-15(13(7-11)9-17)21-10-12-3-2-4-14(8-12)16(18,19)20/h2-8H,9-10H2,1H3
InChIKeyFENHSVQHXCFERT-UHFFFAOYSA-N
MW314.73 g/mol
LogP5.33
Rot. Bonds4

About 2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene

2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene (PubChem CID 63535402) has the molecular formula C16H14ClF3O and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
PubChem CID63535402
Molecular FormulaC16H14ClF3O
Molecular Weight314.73 g/mol
Exact Mass314.07
IUPAC Name2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
SMILESCc1ccc(OCc2cccc(C(F)(F)F)c2)c(CCl)c1
InChIInChI=1S/C16H14ClF3O/c1-11-5-6-15(13(7-11)9-17)21-10-12-3-2-4-14(8-12)16(18,19)20/h2-8H,9-10H2,1H3
InChIKeyFENHSVQHXCFERT-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.73
LogP ≤ 55.33
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

2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 102132722
2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
CID 55224386
1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627388
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine
CID 170867877
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene
CID 63536076
1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol
CID 43503898

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The IUPAC name of 2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene (CID 63535402) is 2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene.
What is the SMILES notation for 2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The canonical SMILES for 2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene is Cc1ccc(OCc2cccc(C(F)(F)F)c2)c(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The InChIKey is FENHSVQHXCFERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3O/c1-11-5-6-15(13(7-11)9-17)21-10-12-3-2-4-14(8-12)16(18,19)20/h2-8H,9-10H2,1H3.
What are the key properties of 2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene has a molecular weight of 314.73 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene is sourced from PubChem (CID 63535402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).