4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol

C15H14ClFO2 — CID 126676548

IUPAC4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol
SMILESCCOc1ccc(F)c(-c2cc(Cl)c(C)cc2O)c1
InChIInChI=1S/C15H14ClFO2/c1-3-19-10-4-5-14(17)11(7-10)12-8-13(16)9(2)6-15(12)18/h4-8,18H,3H2,1-2H3
InChIKeyYFECGAHSIYJEEN-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.56
Rot. Bonds3

About 4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol

4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol (PubChem CID 126676548) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol.

Molecular Properties

Compound Name4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol
PubChem CID126676548
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol
SMILESCCOc1ccc(F)c(-c2cc(Cl)c(C)cc2O)c1
InChIInChI=1S/C15H14ClFO2/c1-3-19-10-4-5-14(17)11(7-10)12-8-13(16)9(2)6-15(12)18/h4-8,18H,3H2,1-2H3
InChIKeyYFECGAHSIYJEEN-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol?
The IUPAC name of 4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol (CID 126676548) is 4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol.
What is the SMILES notation for 4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol?
The canonical SMILES for 4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol is CCOc1ccc(F)c(-c2cc(Cl)c(C)cc2O)c1.
What is the InChIKey of 4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol?
The InChIKey is YFECGAHSIYJEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-3-19-10-4-5-14(17)11(7-10)12-8-13(16)9(2)6-15(12)18/h4-8,18H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol?
4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol has a molecular weight of 280.73 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-ethoxy-2-fluorophenyl)-5-methylphenol is sourced from PubChem (CID 126676548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).