1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol

C18H19F3O — CID 59729411

IUPAC1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
SMILESCCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C18H19F3O/c1-3-4-17(22)16-10-7-14(11-12(16)2)13-5-8-15(9-6-13)18(19,20)21/h5-11,17,22H,3-4H2,1-2H3
InChIKeyHQSUEYAQNMYGIS-UHFFFAOYSA-N
MW308.34 g/mol
LogP5.51
Rot. Bonds4

About 1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol

1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol (PubChem CID 59729411) has the molecular formula C18H19F3O and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol.

Molecular Properties

Compound Name1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
PubChem CID59729411
Molecular FormulaC18H19F3O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
SMILESCCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C18H19F3O/c1-3-4-17(22)16-10-7-14(11-12(16)2)13-5-8-15(9-6-13)18(19,20)21/h5-11,17,22H,3-4H2,1-2H3
InChIKeyHQSUEYAQNMYGIS-UHFFFAOYSA-N
XLogP5.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.34
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 59729414
[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 22280004
ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol
CID 143149816
(1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol
CID 162098581
2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propyl methanesulfonate
CID 59729429
2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 23005194
1-[2-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]butan-1-ol
CID 143320878
1-[2-methyl-4-(trifluoromethyl)phenyl]-4-sulfanylbutane-1,2-diol
CID 171874604
1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 143812957
1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene
CID 130480328
2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
CID 103454075
methyl 4-[(1R)-1-hydroxybutyl]-3-methylbenzoate
CID 129406914

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
The IUPAC name of 1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol (CID 59729411) is 1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol.
What is the SMILES notation for 1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
The canonical SMILES for 1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol is CCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of 1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
The InChIKey is HQSUEYAQNMYGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3O/c1-3-4-17(22)16-10-7-14(11-12(16)2)13-5-8-15(9-6-13)18(19,20)21/h5-11,17,22H,3-4H2,1-2H3.
What are the key properties of 1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol has a molecular weight of 308.34 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol is sourced from PubChem (CID 59729411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).