2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene

C14H10ClF3O — CID 3084880

IUPAC2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene
SMILESCc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H10ClF3O/c1-9-3-2-4-11(7-9)19-13-6-5-10(8-12(13)15)14(16,17)18/h2-8H,1H3
InChIKeyCSXRLIIXUVVUTK-UHFFFAOYSA-N
MW286.68 g/mol
LogP5.46
Rot. Bonds2

About 2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene

2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene (PubChem CID 3084880) has the molecular formula C14H10ClF3O and a molecular weight of 286.68 g/mol. Its IUPAC name is 2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene
PubChem CID3084880
Molecular FormulaC14H10ClF3O
Molecular Weight286.68 g/mol
Exact Mass286.04
IUPAC Name2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene
SMILESCc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H10ClF3O/c1-9-3-2-4-11(7-9)19-13-6-5-10(8-12(13)15)14(16,17)18/h2-8H,1H3
InChIKeyCSXRLIIXUVVUTK-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 2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene (CID 3084880) is 2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene is Cc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene?
The InChIKey is CSXRLIIXUVVUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O/c1-9-3-2-4-11(7-9)19-13-6-5-10(8-12(13)15)14(16,17)18/h2-8H,1H3.
What are the key properties of 2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene?
2-chloro-1-(3-methylphenoxy)-4-(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 2-chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 3084880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).