1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol

C17H16F2O — CID 114931089

IUPAC1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol
SMILESOC(Cc1c(F)cccc1F)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H16F2O/c18-15-2-1-3-16(19)14(15)10-17(20)13-8-6-12(7-9-13)11-4-5-11/h1-3,6-9,11,17,20H,4-5,10H2
InChIKeyZDKKATKTBPQCKM-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.12
Rot. Bonds4

About 1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol

1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol (PubChem CID 114931089) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol
PubChem CID114931089
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol
SMILESOC(Cc1c(F)cccc1F)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H16F2O/c18-15-2-1-3-16(19)14(15)10-17(20)13-8-6-12(7-9-13)11-4-5-11/h1-3,6-9,11,17,20H,4-5,10H2
InChIKeyZDKKATKTBPQCKM-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclopropylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 79980804
2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 107883644
2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980726
1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol
CID 79981039
2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980174
1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 79973379
2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79979846
1-(4-cyclopropylphenyl)-2-(3-methoxyphenyl)ethanol
CID 79980257
1-(4-cyclopropylphenyl)-2-pyridin-2-ylethanol
CID 79980417
2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol
CID 114552917
1-(4-cyclobutylphenyl)-2-(3-methylphenyl)ethanol
CID 116505746
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol?
The IUPAC name of 1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol (CID 114931089) is 1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol is OC(Cc1c(F)cccc1F)c1ccc(C2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol?
The InChIKey is ZDKKATKTBPQCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c18-15-2-1-3-16(19)14(15)10-17(20)13-8-6-12(7-9-13)11-4-5-11/h1-3,6-9,11,17,20H,4-5,10H2.
What are the key properties of 1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol?
1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol has a molecular weight of 274.31 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 114931089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).