2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol

C18H18F2O — CID 63080039

IUPAC2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol
SMILESOC(Cc1cc(F)ccc1F)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H18F2O/c19-15-7-8-16(20)13(11-15)12-17(21)18(9-4-10-18)14-5-2-1-3-6-14/h1-3,5-8,11,17,21H,4,9-10,12H2
InChIKeyKWSOKYBQGSBCEL-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.99
Rot. Bonds4

About 2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol

2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol (PubChem CID 63080039) has the molecular formula C18H18F2O and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol
PubChem CID63080039
Molecular FormulaC18H18F2O
Molecular Weight288.34 g/mol
Exact Mass288.13
IUPAC Name2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol
SMILESOC(Cc1cc(F)ccc1F)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H18F2O/c19-15-7-8-16(20)13(11-15)12-17(21)18(9-4-10-18)14-5-2-1-3-6-14/h1-3,5-8,11,17,21H,4,9-10,12H2
InChIKeyKWSOKYBQGSBCEL-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol
CID 114854613
2-phenyl-1-(1-phenylcyclopentyl)ethanol
CID 63080283
2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine
CID 114347866
2-(3-bromophenyl)-1-(1-phenylcyclobutyl)ethanol
CID 63080727
2-(2,5-difluorophenyl)-1-(2-fluorophenyl)ethanol
CID 63083872
1-(2,5-difluorophenyl)-3-phenylbutan-2-ol
CID 63901819
2-(2-chloro-5-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 102618859
2-(2,5-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63017736
3-phenyl-1-(1-phenylcyclobutyl)propan-1-ol
CID 63078442
2-(2-methoxy-5-methylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63078954
1-(2-chlorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 62099435
2-(4-methylphenyl)-1-(1-phenylcyclopentyl)ethanol
CID 63414353

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol (CID 63080039) is 2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol is OC(Cc1cc(F)ccc1F)C1(c2ccccc2)CCC1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol?
The InChIKey is KWSOKYBQGSBCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O/c19-15-7-8-16(20)13(11-15)12-17(21)18(9-4-10-18)14-5-2-1-3-6-14/h1-3,5-8,11,17,21H,4,9-10,12H2.
What are the key properties of 2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol?
2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol has a molecular weight of 288.34 g/mol, XLogP of 3.99, 4 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-(1-phenylcyclobutyl)ethanol is sourced from PubChem (CID 63080039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).