2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol

C20H23ClF2O2 — CID 146658768

IUPAC2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol
SMILESCC(C)(C)c1c(F)ccc(Cl)c1OCC(C)(C)c1c(O)cccc1F
InChIInChI=1S/C20H23ClF2O2/c1-19(2,3)17-14(23)10-9-12(21)18(17)25-11-20(4,5)16-13(22)7-6-8-15(16)24/h6-10,24H,11H2,1-5H3
InChIKeyUKFVEXBMJXEKEW-UHFFFAOYSA-N
MW368.85 g/mol
LogP5.98
Rot. Bonds4

About 2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol

2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol (PubChem CID 146658768) has the molecular formula C20H23ClF2O2 and a molecular weight of 368.85 g/mol. Its IUPAC name is 2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol.

Molecular Properties

Compound Name2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol
PubChem CID146658768
Molecular FormulaC20H23ClF2O2
Molecular Weight368.85 g/mol
Exact Mass368.14
IUPAC Name2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol
SMILESCC(C)(C)c1c(F)ccc(Cl)c1OCC(C)(C)c1c(O)cccc1F
InChIInChI=1S/C20H23ClF2O2/c1-19(2,3)17-14(23)10-9-12(21)18(17)25-11-20(4,5)16-13(22)7-6-8-15(16)24/h6-10,24H,11H2,1-5H3
InChIKeyUKFVEXBMJXEKEW-UHFFFAOYSA-N
XLogP5.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.85
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol?
The IUPAC name of 2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol (CID 146658768) is 2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol.
What is the SMILES notation for 2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol?
The canonical SMILES for 2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol is CC(C)(C)c1c(F)ccc(Cl)c1OCC(C)(C)c1c(O)cccc1F.
What is the InChIKey of 2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol?
The InChIKey is UKFVEXBMJXEKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF2O2/c1-19(2,3)17-14(23)10-9-12(21)18(17)25-11-20(4,5)16-13(22)7-6-8-15(16)24/h6-10,24H,11H2,1-5H3.
What are the key properties of 2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol?
2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol has a molecular weight of 368.85 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-tert-butyl-6-chloro-3-fluorophenoxy)-2-methylpropan-2-yl]-3-fluorophenol is sourced from PubChem (CID 146658768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).