[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol

C15H16BrNO2 — CID 107725591

IUPAC[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol
SMILESCc1cc(CO)cc(Oc2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C15H16BrNO2/c1-9-4-13(5-10(2)15(9)16)19-14-7-12(8-18)6-11(3)17-14/h4-7,18H,8H2,1-3H3
InChIKeyQAGUKRUUJBCTMA-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.05
Rot. Bonds3

About [2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol

[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol (PubChem CID 107725591) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is [2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol
PubChem CID107725591
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol
SMILESCc1cc(CO)cc(Oc2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C15H16BrNO2/c1-9-4-13(5-10(2)15(9)16)19-14-7-12(8-18)6-11(3)17-14/h4-7,18H,8H2,1-3H3
InChIKeyQAGUKRUUJBCTMA-UHFFFAOYSA-N
XLogP4.05
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 107725916
[2-(4-fluorophenoxy)-6-methyl-4-pyridinyl]methanol
CID 113378794
[2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol
CID 113378798
[2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine
CID 107725807
[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 107727424
[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol
CID 107725618
[2-(difluoromethoxy)-6-methyl-4-pyridinyl]methanol
CID 133056724
[6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol
CID 107725609
[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol
CID 102722592
[4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol
CID 107723971
6-(4-bromo-3,5-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 107727385
4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 107726792

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol?
The IUPAC name of [2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol (CID 107725591) is [2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol.
What is the SMILES notation for [2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol?
The canonical SMILES for [2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol is Cc1cc(CO)cc(Oc2cc(C)c(Br)c(C)c2)n1.
What is the InChIKey of [2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol?
The InChIKey is QAGUKRUUJBCTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-9-4-13(5-10(2)15(9)16)19-14-7-12(8-18)6-11(3)17-14/h4-7,18H,8H2,1-3H3.
What are the key properties of [2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol?
[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol has a molecular weight of 322.20 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol is sourced from PubChem (CID 107725591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).