4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene

C15H12ClF3O — CID 63567308

IUPAC4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene
SMILESCc1cc(CCl)ccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C15H12ClF3O/c1-10-8-11(9-16)6-7-13(10)20-14-5-3-2-4-12(14)15(17,18)19/h2-8H,9H2,1H3
InChIKeyBOCIZQCDTULZHG-UHFFFAOYSA-N
MW300.71 g/mol
LogP5.54
Rot. Bonds3

About 4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene

4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene (PubChem CID 63567308) has the molecular formula C15H12ClF3O and a molecular weight of 300.71 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene
PubChem CID63567308
Molecular FormulaC15H12ClF3O
Molecular Weight300.71 g/mol
Exact Mass300.05
IUPAC Name4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene
SMILESCc1cc(CCl)ccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C15H12ClF3O/c1-10-8-11(9-16)6-7-13(10)20-14-5-3-2-4-12(14)15(17,18)19/h2-8H,9H2,1H3
InChIKeyBOCIZQCDTULZHG-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.71
LogP ≤ 55.54
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

4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
CID 63565705
3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
CID 18616432
N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 105406518
1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene
CID 28946947
2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene
CID 64720664
N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 80637413
1-(4-bromophenoxy)-4-(chloromethyl)-2-methylbenzene
CID 63565881
4-(chloromethyl)-1-propoxy-2-(trifluoromethyl)benzene
CID 63320761
5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile
CID 107928062
4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134629903
1-(chloromethyl)-3-(2-methylphenoxy)benzene
CID 112594476
4-(chloromethyl)-1-pentoxy-2-(trifluoromethyl)benzene
CID 55224005

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene?
The IUPAC name of 4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene (CID 63567308) is 4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene.
What is the SMILES notation for 4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene?
The canonical SMILES for 4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene is Cc1cc(CCl)ccc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene?
The InChIKey is BOCIZQCDTULZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O/c1-10-8-11(9-16)6-7-13(10)20-14-5-3-2-4-12(14)15(17,18)19/h2-8H,9H2,1H3.
What are the key properties of 4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene?
4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene has a molecular weight of 300.71 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene is sourced from PubChem (CID 63567308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).