1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene

C14H11F3O2 — CID 76546119

IUPAC1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
SMILESCOc1ccccc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3O2/c1-18-12-4-2-3-5-13(12)19-11-8-6-10(7-9-11)14(15,16)17/h2-9H,1H3
InChIKeyXGQANOGVKQWHEW-UHFFFAOYSA-N
MW268.23 g/mol
LogP4.51
Rot. Bonds3

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

1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene (PubChem CID 76546119) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
PubChem CID76546119
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
SMILESCOc1ccccc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3O2/c1-18-12-4-2-3-5-13(12)19-11-8-6-10(7-9-11)14(15,16)17/h2-9H,1H3
InChIKeyXGQANOGVKQWHEW-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyphenoxy)-5-(trifluoromethyl)pyridine
CID 70516115
1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene
CID 166074039
1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene
CID 155883074
N-[4-(2-methoxyphenoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2194167
2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
CID 87588000
1-(bromomethyl)-4-(2-methoxyphenoxy)benzene
CID 107087191
[4-(2-methoxyphenoxy)phenyl]methanol
CID 28946116
7-[4-(trifluoromethyl)phenoxy]-1H-indole
CID 139371868
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzaldehyde
CID 170440980
2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
CID 166073527
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 170440976

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene?
The IUPAC name of 1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene (CID 76546119) is 1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene.
What is the SMILES notation for 1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene?
The canonical SMILES for 1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene is COc1ccccc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene?
The InChIKey is XGQANOGVKQWHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c1-18-12-4-2-3-5-13(12)19-11-8-6-10(7-9-11)14(15,16)17/h2-9H,1H3.
What are the key properties of 1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene?
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene has a molecular weight of 268.23 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene is sourced from PubChem (CID 76546119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).