2-bromo-4-methoxy-3-methylphenol

C8H9BrO2 — CID 54571766

IUPAC2-bromo-4-methoxy-3-methylphenol
SMILESCOc1ccc(O)c(Br)c1C
InChIInChI=1S/C8H9BrO2/c1-5-7(11-2)4-3-6(10)8(5)9/h3-4,10H,1-2H3
InChIKeyZXULARVUKLVLDW-UHFFFAOYSA-N
MW217.06 g/mol
LogP2.47
Rot. Bonds1

About 2-bromo-4-methoxy-3-methylphenol

2-bromo-4-methoxy-3-methylphenol (PubChem CID 54571766) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is 2-bromo-4-methoxy-3-methylphenol.

Molecular Properties

Compound Name2-bromo-4-methoxy-3-methylphenol
PubChem CID54571766
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name2-bromo-4-methoxy-3-methylphenol
SMILESCOc1ccc(O)c(Br)c1C
InChIInChI=1S/C8H9BrO2/c1-5-7(11-2)4-3-6(10)8(5)9/h3-4,10H,1-2H3
InChIKeyZXULARVUKLVLDW-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13158257
2-bromo-3-methyl-4-phenylmethoxyphenol
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3-bromo-1-methoxy-2-methyl-4-nitrobenzene
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6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol
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6-bromo-3-methoxy-2-methylaniline
CID 67280395
2-benzyl-4-methoxy-3-methylphenol
CID 70517924
2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84806650
2-bromo-3-chloro-6-methoxyphenol
CID 84700321
4-(aminomethyl)-2-bromo-3-methylphenol
CID 84784548
2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene
CID 15362253
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171
1-bromo-3-methoxy-2-methylbenzene
CID 18505255

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-3-methylphenol?
The IUPAC name of 2-bromo-4-methoxy-3-methylphenol (CID 54571766) is 2-bromo-4-methoxy-3-methylphenol.
What is the SMILES notation for 2-bromo-4-methoxy-3-methylphenol?
The canonical SMILES for 2-bromo-4-methoxy-3-methylphenol is COc1ccc(O)c(Br)c1C.
What is the InChIKey of 2-bromo-4-methoxy-3-methylphenol?
The InChIKey is ZXULARVUKLVLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2/c1-5-7(11-2)4-3-6(10)8(5)9/h3-4,10H,1-2H3.
What are the key properties of 2-bromo-4-methoxy-3-methylphenol?
2-bromo-4-methoxy-3-methylphenol has a molecular weight of 217.06 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-3-methylphenol is sourced from PubChem (CID 54571766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).