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

C14H10ClF3O2 — CID 12896698

IUPAC2-chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene
SMILESCOc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H10ClF3O2/c1-19-10-3-2-4-11(8-10)20-13-6-5-9(7-12(13)15)14(16,17)18/h2-8H,1H3
InChIKeyQGCMPMOXVFSNEA-UHFFFAOYSA-N
MW302.68 g/mol
LogP5.16
Rot. Bonds3

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

2-chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene (PubChem CID 12896698) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is 2-chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene
PubChem CID12896698
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name2-chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene
SMILESCOc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H10ClF3O2/c1-19-10-3-2-4-11(8-10)20-13-6-5-9(7-12(13)15)14(16,17)18/h2-8H,1H3
InChIKeyQGCMPMOXVFSNEA-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.68
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene (CID 12896698) is 2-chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene is COc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 2-chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene?
The InChIKey is QGCMPMOXVFSNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c1-19-10-3-2-4-11(8-10)20-13-6-5-9(7-12(13)15)14(16,17)18/h2-8H,1H3.
What are the key properties of 2-chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene?
2-chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene has a molecular weight of 302.68 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-methoxyphenoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 12896698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).