2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene

C15H11BrClF3O — CID 67324705

IUPAC2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene
SMILESCc1ccccc1C(Br)Oc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H11BrClF3O/c1-9-4-2-3-5-11(9)14(16)21-13-8-10(15(18,19)20)6-7-12(13)17/h2-8,14H,1H3
InChIKeyXZXWJMJIBRUOSO-UHFFFAOYSA-N
MW379.60 g/mol
LogP6.14
Rot. Bonds3

About 2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene

2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene (PubChem CID 67324705) has the molecular formula C15H11BrClF3O and a molecular weight of 379.60 g/mol. Its IUPAC name is 2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene
PubChem CID67324705
Molecular FormulaC15H11BrClF3O
Molecular Weight379.60 g/mol
Exact Mass377.96
IUPAC Name2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene
SMILESCc1ccccc1C(Br)Oc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H11BrClF3O/c1-9-4-2-3-5-11(9)14(16)21-13-8-10(15(18,19)20)6-7-12(13)17/h2-8,14H,1H3
InChIKeyXZXWJMJIBRUOSO-UHFFFAOYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.60
LogP ≤ 56.14
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

1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene
CID 166607807
[2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol
CID 114979165
CID 87363082
CID 87363082
[(S)-bromo-(2-methylphenyl)methyl] hypobromite
CID 124639484
ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate
CID 83409150
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
CID 86676669
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3951046
(3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 107103538
3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine
CID 154125773
4-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine
CID 67256854
[(2-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759477

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene?
The IUPAC name of 2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene (CID 67324705) is 2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene is Cc1ccccc1C(Br)Oc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene?
The InChIKey is XZXWJMJIBRUOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClF3O/c1-9-4-2-3-5-11(9)14(16)21-13-8-10(15(18,19)20)6-7-12(13)17/h2-8,14H,1H3.
What are the key properties of 2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene?
2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene has a molecular weight of 379.60 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 67324705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).