1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene

C25H25F3O3 — CID 13194645

IUPAC1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C25H25F3O3/c1-24(2,20-11-13-21(14-12-20)30-18-25(26,27)28)17-29-16-19-7-6-10-23(15-19)31-22-8-4-3-5-9-22/h3-15H,16-18H2,1-2H3
InChIKeyIUEVGSCWMPGIKO-UHFFFAOYSA-N
MW430.47 g/mol
LogP6.91
Rot. Bonds9

About 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene

1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene (PubChem CID 13194645) has the molecular formula C25H25F3O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene
PubChem CID13194645
Molecular FormulaC25H25F3O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C25H25F3O3/c1-24(2,20-11-13-21(14-12-20)30-18-25(26,27)28)17-29-16-19-7-6-10-23(15-19)31-22-8-4-3-5-9-22/h3-15H,16-18H2,1-2H3
InChIKeyIUEVGSCWMPGIKO-UHFFFAOYSA-N
XLogP6.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 3067110
2-[4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]phenoxy]acetic acid
CID 19972046
1-[4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]phenyl]ethanone
CID 3067165
1-[(Z)-but-2-en-2-yl]-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 20840945
1-[3,3-dimethyl-4-[(3-phenoxyphenyl)methoxy]but-1-enyl]-4-(trifluoromethyl)benzene
CID 54487108
2-bromo-1-methoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 139636498
1-[1,1-difluoro-2-methyl-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethoxy)benzene
CID 19828146
2-chloro-1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 3067183
1-ethoxy-4-(2-methyl-1-phenylmethoxypropan-2-yl)benzene
CID 142632162
4-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 15582662
1-bromo-3-chloro-2-ethoxy-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 19880749
1-[2-chloro-1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethoxy)benzene
CID 14517006

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene (CID 13194645) is 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene is CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is IUEVGSCWMPGIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3O3/c1-24(2,20-11-13-21(14-12-20)30-18-25(26,27)28)17-29-16-19-7-6-10-23(15-19)31-22-8-4-3-5-9-22/h3-15H,16-18H2,1-2H3.
What are the key properties of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene?
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 430.47 g/mol, XLogP of 6.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 13194645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).