1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene

C14H10ClF3O — CID 54371683

IUPAC1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene
SMILESCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H10ClF3O/c1-9-2-4-10(5-3-9)19-11-6-7-13(15)12(8-11)14(16,17)18/h2-8H,1H3
InChIKeyUTQLIEUHVVKBNO-UHFFFAOYSA-N
MW286.68 g/mol
LogP5.46
Rot. Bonds2

About 1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene

1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene (PubChem CID 54371683) has the molecular formula C14H10ClF3O and a molecular weight of 286.68 g/mol. Its IUPAC name is 1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene
PubChem CID54371683
Molecular FormulaC14H10ClF3O
Molecular Weight286.68 g/mol
Exact Mass286.04
IUPAC Name1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene
SMILESCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H10ClF3O/c1-9-2-4-10(5-3-9)19-11-6-7-13(15)12(8-11)14(16,17)18/h2-8H,1H3
InChIKeyUTQLIEUHVVKBNO-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.68
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene (CID 54371683) is 1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene is Cc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene?
The InChIKey is UTQLIEUHVVKBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O/c1-9-2-4-10(5-3-9)19-11-6-7-13(15)12(8-11)14(16,17)18/h2-8H,1H3.
What are the key properties of 1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene?
1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene has a molecular weight of 286.68 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 54371683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).