3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol

C13H9ClF2O — CID 138750636

IUPAC3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol
SMILESCc1cc(F)c(Cl)c(-c2cc(O)ccc2F)c1
InChIInChI=1S/C13H9ClF2O/c1-7-4-10(13(14)12(16)5-7)9-6-8(17)2-3-11(9)15/h2-6,17H,1H3
InChIKeyPZYGSCPWZOOGIX-UHFFFAOYSA-N
MW254.66 g/mol
LogP4.30
Rot. Bonds1

About 3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol

3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol (PubChem CID 138750636) has the molecular formula C13H9ClF2O and a molecular weight of 254.66 g/mol. Its IUPAC name is 3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol.

Molecular Properties

Compound Name3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol
PubChem CID138750636
Molecular FormulaC13H9ClF2O
Molecular Weight254.66 g/mol
Exact Mass254.03
IUPAC Name3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol
SMILESCc1cc(F)c(Cl)c(-c2cc(O)ccc2F)c1
InChIInChI=1S/C13H9ClF2O/c1-7-4-10(13(14)12(16)5-7)9-6-8(17)2-3-11(9)15/h2-6,17H,1H3
InChIKeyPZYGSCPWZOOGIX-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.66
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol?
The IUPAC name of 3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol (CID 138750636) is 3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol.
What is the SMILES notation for 3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol?
The canonical SMILES for 3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol is Cc1cc(F)c(Cl)c(-c2cc(O)ccc2F)c1.
What is the InChIKey of 3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol?
The InChIKey is PZYGSCPWZOOGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2O/c1-7-4-10(13(14)12(16)5-7)9-6-8(17)2-3-11(9)15/h2-6,17H,1H3.
What are the key properties of 3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol?
3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol has a molecular weight of 254.66 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluoro-5-methylphenyl)-4-fluorophenol is sourced from PubChem (CID 138750636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).