1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol

C18H23F3O — CID 143634112

IUPAC1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol
SMILESCC.CO.Cc1ccc(-c2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C15H13F3.C2H6.CH4O/c1-10-7-8-12(9-11(10)2)13-5-3-4-6-14(13)15(16,17)18;2*1-2/h3-9H,1-2H3;1-2H3;2H,1H3
InChIKeyWXSVJTAWGNAPAU-UHFFFAOYSA-N
MW312.38 g/mol
LogP5.62
Rot. Bonds1

About 1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol

1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol (PubChem CID 143634112) has the molecular formula C18H23F3O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol.

Molecular Properties

Compound Name1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol
PubChem CID143634112
Molecular FormulaC18H23F3O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol
SMILESCC.CO.Cc1ccc(-c2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C15H13F3.C2H6.CH4O/c1-10-7-8-12(9-11(10)2)13-5-3-4-6-14(13)15(16,17)18;2*1-2/h3-9H,1-2H3;1-2H3;2H,1H3
InChIKeyWXSVJTAWGNAPAU-UHFFFAOYSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.38
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-[2-(trifluoromethyl)phenyl]phenol
CID 53219065
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269
1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 134628313
1-[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)-4-[2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]benzene
CID 59609359
2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
CID 145031967
3-(2-methylphenyl)-6-[2-(trifluoromethyl)phenyl]phenanthrene-9,10-dione
CID 58301297
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129212253
3-[2-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 90722010
4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine
CID 126582882
1-[2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine;hydrochloride
CID 172876616

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol?
The IUPAC name of 1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol (CID 143634112) is 1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol.
What is the SMILES notation for 1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol?
The canonical SMILES for 1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol is CC.CO.Cc1ccc(-c2ccccc2C(F)(F)F)cc1C.
What is the InChIKey of 1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol?
The InChIKey is WXSVJTAWGNAPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3.C2H6.CH4O/c1-10-7-8-12(9-11(10)2)13-5-3-4-6-14(13)15(16,17)18;2*1-2/h3-9H,1-2H3;1-2H3;2H,1H3.
What are the key properties of 1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol?
1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol has a molecular weight of 312.38 g/mol, XLogP of 5.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol is sourced from PubChem (CID 143634112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).