[4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol

C17H17F3O — CID 65100834

IUPAC[4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol
SMILESCC(C)Cc1ccc(C(O)c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C17H17F3O/c1-10(2)7-11-3-5-12(6-4-11)17(21)16-14(19)8-13(18)9-15(16)20/h3-6,8-10,17,21H,7H2,1-2H3
InChIKeyWIFRXSLXUYPXPT-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.38
Rot. Bonds4

About [4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol

[4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol (PubChem CID 65100834) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol
PubChem CID65100834
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name[4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol
SMILESCC(C)Cc1ccc(C(O)c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C17H17F3O/c1-10(2)7-11-3-5-12(6-4-11)17(21)16-14(19)8-13(18)9-15(16)20/h3-6,8-10,17,21H,7H2,1-2H3
InChIKeyWIFRXSLXUYPXPT-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 61100850
(4-propylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 65100284
(4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089369
(2-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 61100681
(4-fluoro-3-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 81289069
[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol
CID 79217563
(3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428546
[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol
CID 61087299
1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene
CID 178142552
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
1-chloro-3,5-difluoro-2-[[4-(2-methylpropyl)phenyl]methyl]benzene
CID 178141139
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol?
The IUPAC name of [4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol (CID 65100834) is [4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol is CC(C)Cc1ccc(C(O)c2c(F)cc(F)cc2F)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol?
The InChIKey is WIFRXSLXUYPXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-10(2)7-11-3-5-12(6-4-11)17(21)16-14(19)8-13(18)9-15(16)20/h3-6,8-10,17,21H,7H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol?
[4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol has a molecular weight of 294.32 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol is sourced from PubChem (CID 65100834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).