(4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol

C17H17F3O — CID 61089369

IUPAC(4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C17H17F3O/c1-17(2,3)11-6-4-10(5-7-11)16(21)15-13(19)8-12(18)9-14(15)20/h4-9,16,21H,1-3H3
InChIKeyZIVAAHNIPNWDGE-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.48
Rot. Bonds2

About (4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol

(4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol (PubChem CID 61089369) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol
PubChem CID61089369
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name(4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C17H17F3O/c1-17(2,3)11-6-4-10(5-7-11)16(21)15-13(19)8-12(18)9-14(15)20/h4-9,16,21H,1-3H3
InChIKeyZIVAAHNIPNWDGE-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol
CID 7146431
2-[(4-tert-butylphenyl)-chloromethyl]-1,3,5-trifluorobenzene
CID 63430007
[4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol
CID 65100834
(4-propylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 65100284
[4-(difluoromethoxy)phenyl]-(2,4,6-trifluorophenyl)methanol
CID 61087299
(4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol
CID 67981255
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 63895221
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
(4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877511
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
CID 78944719
(2-bromo-6-fluoro-4-methylphenyl)-(4-fluorophenyl)methanol
CID 171366941

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol?
The IUPAC name of (4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol (CID 61089369) is (4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol.
What is the SMILES notation for (4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol?
The canonical SMILES for (4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol is CC(C)(C)c1ccc(C(O)c2c(F)cc(F)cc2F)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol?
The InChIKey is ZIVAAHNIPNWDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-17(2,3)11-6-4-10(5-7-11)16(21)15-13(19)8-12(18)9-14(15)20/h4-9,16,21H,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol?
(4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol has a molecular weight of 294.32 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol is sourced from PubChem (CID 61089369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).