1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene

C25H25F3O — CID 156599751

IUPAC1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene
SMILESCc1ccc(C(C)(CCc2ccccc2)Cc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C25H25F3O/c1-19-8-12-22(13-9-19)24(2,17-16-20-6-4-3-5-7-20)18-21-10-14-23(15-11-21)29-25(26,27)28/h3-15H,16-18H2,1-2H3
InChIKeyGVZLAEXKXFFCAE-UHFFFAOYSA-N
MW398.47 g/mol
LogP7.03
Rot. Bonds7

About 1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene

1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene (PubChem CID 156599751) has the molecular formula C25H25F3O and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene
PubChem CID156599751
Molecular FormulaC25H25F3O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene
SMILESCc1ccc(C(C)(CCc2ccccc2)Cc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C25H25F3O/c1-19-8-12-22(13-9-19)24(2,17-16-20-6-4-3-5-7-20)18-21-10-14-23(15-11-21)29-25(26,27)28/h3-15H,16-18H2,1-2H3
InChIKeyGVZLAEXKXFFCAE-UHFFFAOYSA-N
XLogP7.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 71245
Chlorotrianisene
CID 11289
4-Methoxybiphenyl
CID 11943
4-Methoxydiphenylmethane
CID 13264
Halfenprox
CID 10140464
1,3-Bis(4-cyanophenyl)propane
CID 70872
1,1'-(Phenylmethylene)bis(4-methoxybenzene)
CID 82012
3,4-Bis(4-methoxyphenyl)hex-3-ene
CID 3032539
1-methoxy-4-[(E)-2-(4-methylphenyl)vinyl]benzene
CID 639952
1-Methoxy-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 221573
3,4-Bis(4-methoxyphenyl)hexane
CID 8541
4,4'-Dimethoxybibenzyl
CID 74261

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene?
The IUPAC name of 1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene (CID 156599751) is 1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene is Cc1ccc(C(C)(CCc2ccccc2)Cc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene?
The InChIKey is GVZLAEXKXFFCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3O/c1-19-8-12-22(13-9-19)24(2,17-16-20-6-4-3-5-7-20)18-21-10-14-23(15-11-21)29-25(26,27)28/h3-15H,16-18H2,1-2H3.
What are the key properties of 1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene?
1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene has a molecular weight of 398.47 g/mol, XLogP of 7.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-methyl-4-phenyl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]benzene is sourced from PubChem (CID 156599751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).