1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene

C17H17F3O — CID 60627388

IUPAC1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
SMILESCC(C)c1ccccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3O/c1-12(2)15-8-3-4-9-16(15)21-11-13-6-5-7-14(10-13)17(18,19)20/h3-10,12H,11H2,1-2H3
InChIKeyYBCVMDNTVNAMHH-UHFFFAOYSA-N
MW294.32 g/mol
LogP5.41
Rot. Bonds4

About 1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene

1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene (PubChem CID 60627388) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
PubChem CID60627388
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
SMILESCC(C)c1ccccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3O/c1-12(2)15-8-3-4-9-16(15)21-11-13-6-5-7-14(10-13)17(18,19)20/h3-10,12H,11H2,1-2H3
InChIKeyYBCVMDNTVNAMHH-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.32
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol
CID 43503898
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
CID 60627362
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992
2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 102132722
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 63535402
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The IUPAC name of 1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene (CID 60627388) is 1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene.
What is the SMILES notation for 1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The canonical SMILES for 1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene is CC(C)c1ccccc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The InChIKey is YBCVMDNTVNAMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-12(2)15-8-3-4-9-16(15)21-11-13-6-5-7-14(10-13)17(18,19)20/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene has a molecular weight of 294.32 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene is sourced from PubChem (CID 60627388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).