[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol

C16H17ClFNO2 — CID 116689756

IUPAC[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
SMILESCC(C)(C)c1cc(CO)cc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C16H17ClFNO2/c1-16(2,3)13-7-10(9-20)8-14(19-13)21-12-6-4-5-11(17)15(12)18/h4-8,20H,9H2,1-3H3
InChIKeyOGXLMRSWGHJJKJ-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.46
Rot. Bonds3

About [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol

[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol (PubChem CID 116689756) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
PubChem CID116689756
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
SMILESCC(C)(C)c1cc(CO)cc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C16H17ClFNO2/c1-16(2,3)13-7-10(9-20)8-14(19-13)21-12-6-4-5-11(17)15(12)18/h4-8,20H,9H2,1-3H3
InChIKeyOGXLMRSWGHJJKJ-UHFFFAOYSA-N
XLogP4.46
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
The IUPAC name of [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol (CID 116689756) is [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
The canonical SMILES for [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol is CC(C)(C)c1cc(CO)cc(Oc2cccc(Cl)c2F)n1.
What is the InChIKey of [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
The InChIKey is OGXLMRSWGHJJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-16(2,3)13-7-10(9-20)8-14(19-13)21-12-6-4-5-11(17)15(12)18/h4-8,20H,9H2,1-3H3.
What are the key properties of [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol?
[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol has a molecular weight of 309.77 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 116689756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).