2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol

C17H18F2O — CID 63893918

IUPAC2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)Cc2cc(F)ccc2F)c(C)c1
InChIInChI=1S/C17H18F2O/c1-10-6-11(2)17(12(3)7-10)16(20)9-13-8-14(18)4-5-15(13)19/h4-8,16,20H,9H2,1-3H3
InChIKeyUAXVHXNTAOXVPB-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.17
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol

2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 63893918) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID63893918
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)Cc2cc(F)ccc2F)c(C)c1
InChIInChI=1S/C17H18F2O/c1-10-6-11(2)17(12(3)7-10)16(20)9-13-8-14(18)4-5-15(13)19/h4-8,16,20H,9H2,1-3H3
InChIKeyUAXVHXNTAOXVPB-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106879490
2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 114981981
2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 114981931
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 115983386
2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105081046
1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 114982155
2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol
CID 114982000
2-(5-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 103048202
2-(2,5-difluorophenyl)-1-(2-fluorophenyl)ethanol
CID 63083872
2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 107883521
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805
1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377706

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol (CID 63893918) is 2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)Cc2cc(F)ccc2F)c(C)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is UAXVHXNTAOXVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-10-6-11(2)17(12(3)7-10)16(20)9-13-8-14(18)4-5-15(13)19/h4-8,16,20H,9H2,1-3H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol?
2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 276.33 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 63893918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).