1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol

C18H21FO — CID 63425921

IUPAC1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol
SMILESCCC(C)c1ccc(C(O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H21FO/c1-3-13(2)14-8-10-15(11-9-14)18(20)12-16-6-4-5-7-17(16)19/h4-11,13,18,20H,3,12H2,1-2H3
InChIKeyHCZMLSUDDWRNEI-UHFFFAOYSA-N
MW272.36 g/mol
LogP4.62
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol

1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol (PubChem CID 63425921) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol
PubChem CID63425921
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol
SMILESCCC(C)c1ccc(C(O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H21FO/c1-3-13(2)14-8-10-15(11-9-14)18(20)12-16-6-4-5-7-17(16)19/h4-11,13,18,20H,3,12H2,1-2H3
InChIKeyHCZMLSUDDWRNEI-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol
CID 79206674
2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethanol
CID 15650401
4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115480843
1-(3-fluoro-4-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 60798295
N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-fluorophenyl)acetamide
CID 2668849
1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene
CID 174779552
1-butan-2-yl-4-[3-(2-fluorophenyl)-2,2-dimethylpropyl]benzene
CID 129212648
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427
1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 61100130
2-(2-fluorophenyl)-1-pyridin-3-ylethanol
CID 60797488
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol
CID 113336988
1-[2-(bromomethyl)butyl]-2-fluorobenzene
CID 66041853

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol (CID 63425921) is 1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol is CCC(C)c1ccc(C(O)Cc2ccccc2F)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol?
The InChIKey is HCZMLSUDDWRNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-3-13(2)14-8-10-15(11-9-14)18(20)12-16-6-4-5-7-17(16)19/h4-11,13,18,20H,3,12H2,1-2H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol?
1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol has a molecular weight of 272.36 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol is sourced from PubChem (CID 63425921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).