1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene

C14H11F3O2 — CID 18770174

IUPAC1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene
SMILESCOc1cccc(OC(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C14H11F3O2/c1-18-11-8-5-9-12(19-14(15,16)17)13(11)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyXAGKPIYVBRKAAR-UHFFFAOYSA-N
MW268.23 g/mol
LogP4.26
Rot. Bonds3

About 1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene

1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene (PubChem CID 18770174) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene
PubChem CID18770174
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene
SMILESCOc1cccc(OC(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C14H11F3O2/c1-18-11-8-5-9-12(19-14(15,16)17)13(11)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyXAGKPIYVBRKAAR-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene (CID 18770174) is 1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene is COc1cccc(OC(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene?
The InChIKey is XAGKPIYVBRKAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c1-18-11-8-5-9-12(19-14(15,16)17)13(11)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of 1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene?
1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene has a molecular weight of 268.23 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 18770174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).