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

C15H12ClF3O — CID 59483529

IUPAC1-chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene
SMILESCc1ccccc1COc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H12ClF3O/c1-10-4-2-3-5-11(10)9-20-14-8-12(15(17,18)19)6-7-13(14)16/h2-8H,9H2,1H3
InChIKeyOCBYWRJJODBFLI-UHFFFAOYSA-N
MW300.71 g/mol
LogP5.25
Rot. Bonds3

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

1-chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene (PubChem CID 59483529) has the molecular formula C15H12ClF3O and a molecular weight of 300.71 g/mol. Its IUPAC name is 1-chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene
PubChem CID59483529
Molecular FormulaC15H12ClF3O
Molecular Weight300.71 g/mol
Exact Mass300.05
IUPAC Name1-chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene
SMILESCc1ccccc1COc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H12ClF3O/c1-10-4-2-3-5-11(10)9-20-14-8-12(15(17,18)19)6-7-13(14)16/h2-8H,9H2,1H3
InChIKeyOCBYWRJJODBFLI-UHFFFAOYSA-N
XLogP5.25
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 ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene (CID 59483529) is 1-chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene is Cc1ccccc1COc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene?
The InChIKey is OCBYWRJJODBFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O/c1-10-4-2-3-5-11(10)9-20-14-8-12(15(17,18)19)6-7-13(14)16/h2-8H,9H2,1H3.
What are the key properties of 1-chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene?
1-chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene has a molecular weight of 300.71 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 59483529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).