2-bromo-4-methyl-6-(4-methylphenoxy)phenol

C14H13BrO2 — CID 101049595

IUPAC2-bromo-4-methyl-6-(4-methylphenoxy)phenol
SMILESCc1ccc(Oc2cc(C)cc(Br)c2O)cc1
InChIInChI=1S/C14H13BrO2/c1-9-3-5-11(6-4-9)17-13-8-10(2)7-12(15)14(13)16/h3-8,16H,1-2H3
InChIKeyAPIKFYROSAIOEJ-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.56
Rot. Bonds2

About 2-bromo-4-methyl-6-(4-methylphenoxy)phenol

2-bromo-4-methyl-6-(4-methylphenoxy)phenol (PubChem CID 101049595) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-bromo-4-methyl-6-(4-methylphenoxy)phenol.

Molecular Properties

Compound Name2-bromo-4-methyl-6-(4-methylphenoxy)phenol
PubChem CID101049595
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name2-bromo-4-methyl-6-(4-methylphenoxy)phenol
SMILESCc1ccc(Oc2cc(C)cc(Br)c2O)cc1
InChIInChI=1S/C14H13BrO2/c1-9-3-5-11(6-4-9)17-13-8-10(2)7-12(15)14(13)16/h3-8,16H,1-2H3
InChIKeyAPIKFYROSAIOEJ-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
CID 59982340
4-bromo-2-(4-methylphenoxy)aniline
CID 65342479
3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
2-(4-bromophenoxy)-4-methylbenzamide
CID 62308096
2-bromo-1-[4-(bromomethyl)phenoxy]-4-methylbenzene
CID 107087378
2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 23386525
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
[2-(4-bromophenoxy)-4-methylphenyl] formate
CID 135130123
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid
CID 107282511
2-(4-bromophenyl)-3-(4-methylphenoxy)furan
CID 67711671

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-6-(4-methylphenoxy)phenol?
The IUPAC name of 2-bromo-4-methyl-6-(4-methylphenoxy)phenol (CID 101049595) is 2-bromo-4-methyl-6-(4-methylphenoxy)phenol.
What is the SMILES notation for 2-bromo-4-methyl-6-(4-methylphenoxy)phenol?
The canonical SMILES for 2-bromo-4-methyl-6-(4-methylphenoxy)phenol is Cc1ccc(Oc2cc(C)cc(Br)c2O)cc1.
What is the InChIKey of 2-bromo-4-methyl-6-(4-methylphenoxy)phenol?
The InChIKey is APIKFYROSAIOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-9-3-5-11(6-4-9)17-13-8-10(2)7-12(15)14(13)16/h3-8,16H,1-2H3.
What are the key properties of 2-bromo-4-methyl-6-(4-methylphenoxy)phenol?
2-bromo-4-methyl-6-(4-methylphenoxy)phenol has a molecular weight of 293.16 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-6-(4-methylphenoxy)phenol is sourced from PubChem (CID 101049595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).