1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol

C18H20F2O — CID 63895221

IUPAC1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
SMILESCC(C)(C)c1ccc(C(O)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H20F2O/c1-18(2,3)14-7-4-12(5-8-14)17(21)10-13-6-9-15(19)11-16(13)20/h4-9,11,17,21H,10H2,1-3H3
InChIKeyPUDXVEYWIJVWEV-UHFFFAOYSA-N
MW290.35 g/mol
LogP4.54
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol

1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol (PubChem CID 63895221) has the molecular formula C18H20F2O and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
PubChem CID63895221
Molecular FormulaC18H20F2O
Molecular Weight290.35 g/mol
Exact Mass290.15
IUPAC Name1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
SMILESCC(C)(C)c1ccc(C(O)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H20F2O/c1-18(2,3)14-7-4-12(5-8-14)17(21)10-13-6-9-15(19)11-16(13)20/h4-9,11,17,21H,10H2,1-3H3
InChIKeyPUDXVEYWIJVWEV-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372779
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 64560038
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol
CID 65151121
2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 63894517
1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448979
2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65148068
1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol
CID 103216689
2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106879490
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197177
2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol
CID 115838318
2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65148021

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol (CID 63895221) is 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol is CC(C)(C)c1ccc(C(O)Cc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol?
The InChIKey is PUDXVEYWIJVWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2O/c1-18(2,3)14-7-4-12(5-8-14)17(21)10-13-6-9-15(19)11-16(13)20/h4-9,11,17,21H,10H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol?
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol has a molecular weight of 290.35 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 63895221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).