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

C14H14BrNO2 — CID 107285369

IUPAC[4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol
SMILESCc1cc(Oc2cc(Br)ccc2C)c(CO)cn1
InChIInChI=1S/C14H14BrNO2/c1-9-3-4-12(15)6-13(9)18-14-5-10(2)16-7-11(14)8-17/h3-7,17H,8H2,1-2H3
InChIKeyBYRKABDKVMWPEX-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.75
Rot. Bonds3

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

[4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol (PubChem CID 107285369) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is [4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol
PubChem CID107285369
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name[4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol
SMILESCc1cc(Oc2cc(Br)ccc2C)c(CO)cn1
InChIInChI=1S/C14H14BrNO2/c1-9-3-4-12(15)6-13(9)18-14-5-10(2)16-7-11(14)8-17/h3-7,17H,8H2,1-2H3
InChIKeyBYRKABDKVMWPEX-UHFFFAOYSA-N
XLogP3.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol
CID 81237020
[6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol
CID 81238111
[2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol
CID 107284920
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol
CID 107373261
[4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol
CID 81237579
1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81251035
[5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol
CID 62001329
[6-methyl-4-(4-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 81238941
[6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 81238278
[4-bromo-2-(4-tert-butyl-2-methylphenoxy)phenyl]methanol
CID 43365121
[4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol
CID 114215312
5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine
CID 107284943

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol?
The IUPAC name of [4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol (CID 107285369) is [4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol?
The canonical SMILES for [4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol is Cc1cc(Oc2cc(Br)ccc2C)c(CO)cn1.
What is the InChIKey of [4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol?
The InChIKey is BYRKABDKVMWPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-9-3-4-12(15)6-13(9)18-14-5-10(2)16-7-11(14)8-17/h3-7,17H,8H2,1-2H3.
What are the key properties of [4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol?
[4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol has a molecular weight of 308.18 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 107285369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).