2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol

C17H16ClFO — CID 107883644

IUPAC2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H16ClFO/c18-15-8-1-11(9-16(15)19)10-17(20)14-6-4-13(5-7-14)12-2-3-12/h1,4-9,12,17,20H,2-3,10H2
InChIKeyFOXHQAGYZRZFJL-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.63
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol

2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol (PubChem CID 107883644) has the molecular formula C17H16ClFO and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
PubChem CID107883644
Molecular FormulaC17H16ClFO
Molecular Weight290.77 g/mol
Exact Mass290.09
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H16ClFO/c18-15-8-1-11(9-16(15)19)10-17(20)14-6-4-13(5-7-14)12-2-3-12/h1,4-9,12,17,20H,2-3,10H2
InChIKeyFOXHQAGYZRZFJL-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol
CID 116505751
1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 79973379
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490
1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol
CID 114931089
1-(4-cyclopropylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 79980804
1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol
CID 79981039
2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980174
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79979846
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 107884328
2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980726
1-(3-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883507

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol (CID 107883644) is 2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol is OC(Cc1ccc(Cl)c(F)c1)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol?
The InChIKey is FOXHQAGYZRZFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c18-15-8-1-11(9-16(15)19)10-17(20)14-6-4-13(5-7-14)12-2-3-12/h1,4-9,12,17,20H,2-3,10H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol?
2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol has a molecular weight of 290.77 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol is sourced from PubChem (CID 107883644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).