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

C24H23F3O2 — CID 3067145

IUPAC1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3O2/c1-23(2,19-9-7-10-20(15-19)24(25,26)27)17-28-16-18-8-6-13-22(14-18)29-21-11-4-3-5-12-21/h3-15H,16-17H2,1-2H3
InChIKeyWDNOMLRWCFDBHK-UHFFFAOYSA-N
MW400.44 g/mol
LogP6.99
Rot. Bonds7

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

1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene (PubChem CID 3067145) has the molecular formula C24H23F3O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene
PubChem CID3067145
Molecular FormulaC24H23F3O2
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3O2/c1-23(2,19-9-7-10-20(15-19)24(25,26)27)17-28-16-18-8-6-13-22(14-18)29-21-11-4-3-5-12-21/h3-15H,16-17H2,1-2H3
InChIKeyWDNOMLRWCFDBHK-UHFFFAOYSA-N
XLogP6.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene (CID 3067145) is 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene is CC(C)(COCc1cccc(Oc2ccccc2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene?
The InChIKey is WDNOMLRWCFDBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3O2/c1-23(2,19-9-7-10-20(15-19)24(25,26)27)17-28-16-18-8-6-13-22(14-18)29-21-11-4-3-5-12-21/h3-15H,16-17H2,1-2H3.
What are the key properties of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene?
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene has a molecular weight of 400.44 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 3067145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).