1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene

C19H19F3O — CID 72558099

IUPAC1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene
SMILESCc1ccccc1-c1ccc(C=CC(C)(C)OC(F)(F)F)cc1
InChIInChI=1S/C19H19F3O/c1-14-6-4-5-7-17(14)16-10-8-15(9-11-16)12-13-18(2,3)23-19(20,21)22/h4-13H,1-3H3
InChIKeyINZQFUVCEDMZIW-UHFFFAOYSA-N
MW320.35 g/mol
LogP5.99
Rot. Bonds4

About 1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene

1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene (PubChem CID 72558099) has the molecular formula C19H19F3O and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene
PubChem CID72558099
Molecular FormulaC19H19F3O
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene
SMILESCc1ccccc1-c1ccc(C=CC(C)(C)OC(F)(F)F)cc1
InChIInChI=1S/C19H19F3O/c1-14-6-4-5-7-17(14)16-10-8-15(9-11-16)12-13-18(2,3)23-19(20,21)22/h4-13H,1-3H3
InChIKeyINZQFUVCEDMZIW-UHFFFAOYSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.35
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene
CID 134907901
2-(Trifluoromethyl)-4'-tert-butylbiphenyl
CID 57752905
1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene
CID 56834514
(z)-1-(2,4-Dimethylphenyl)-3,3,3-tri-fluoro-1-(4-methylphenyl)propene
CID 71604513
2-(3,3-Difluoro-2-phenylprop-2-enyl)-1,4-dimethylbenzene
CID 101504098
2-[(E)-2-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane
CID 102129461
1-Methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134966685
1,2-Diethyl-3-[4-(trifluoromethyl)phenyl]benzene
CID 134974260
1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-phenylbenzene
CID 101020501
4-[(3,4-Dimethylphenyl)-difluoromethyl]-1,2-dimethylbenzene
CID 18724442
1-(1,2-Difluorocyclohexa-2,5-dien-1-yl)-2-(4-propylphenyl)benzene
CID 18939974
1-(1,2-Difluorocyclohexa-2,5-dien-1-yl)-2-(4-ethylphenyl)benzene
CID 18940001

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene?
The IUPAC name of 1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene (CID 72558099) is 1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene?
The canonical SMILES for 1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene is Cc1ccccc1-c1ccc(C=CC(C)(C)OC(F)(F)F)cc1.
What is the InChIKey of 1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene?
The InChIKey is INZQFUVCEDMZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O/c1-14-6-4-5-7-17(14)16-10-8-15(9-11-16)12-13-18(2,3)23-19(20,21)22/h4-13H,1-3H3.
What are the key properties of 1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene?
1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene has a molecular weight of 320.35 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-[3-methyl-3-(trifluoromethoxy)but-1-enyl]phenyl]benzene is sourced from PubChem (CID 72558099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).