(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol

C18H19F3O — CID 67342546

IUPAC(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
SMILESCC(C)C[C@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3O/c1-12(2)11-17(22)15-5-3-13(4-6-15)14-7-9-16(10-8-14)18(19,20)21/h3-10,12,17,22H,11H2,1-2H3/t17-/m0/s1
InChIKeyYWMUJBKURLQZGH-KRWDZBQOSA-N
MW308.34 g/mol
LogP5.45
Rot. Bonds4

About (1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol

(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol (PubChem CID 67342546) has the molecular formula C18H19F3O and a molecular weight of 308.34 g/mol. Its IUPAC name is (1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol.

Molecular Properties

Compound Name(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
PubChem CID67342546
Molecular FormulaC18H19F3O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
SMILESCC(C)C[C@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3O/c1-12(2)11-17(22)15-5-3-13(4-6-15)14-7-9-16(10-8-14)18(19,20)21/h3-10,12,17,22H,11H2,1-2H3/t17-/m0/s1
InChIKeyYWMUJBKURLQZGH-KRWDZBQOSA-N
XLogP5.45
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 ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]butan-1-ol
CID 67980966
1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 59729414
(1S,3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-ol
CID 132560145
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol
CID 143149816
2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol
CID 61247016
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
[4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid
CID 67523957
1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene
CID 144748476
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
(2S)-2-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
CID 52939724
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
The IUPAC name of (1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol (CID 67342546) is (1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol.
What is the SMILES notation for (1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
The canonical SMILES for (1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol is CC(C)C[C@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
The InChIKey is YWMUJBKURLQZGH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19F3O/c1-12(2)11-17(22)15-5-3-13(4-6-15)14-7-9-16(10-8-14)18(19,20)21/h3-10,12,17,22H,11H2,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol has a molecular weight of 308.34 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol is sourced from PubChem (CID 67342546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).