2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol

C10H13BrO3 — CID 15547804

IUPAC2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol
SMILESCOc1cc(C(C)(C)O)cc(Br)c1O
InChIInChI=1S/C10H13BrO3/c1-10(2,13)6-4-7(11)9(12)8(5-6)14-3/h4-5,12-13H,1-3H3
InChIKeyGUKUNIIGDGLIOR-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.39
Rot. Bonds2

About 2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol

2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol (PubChem CID 15547804) has the molecular formula C10H13BrO3 and a molecular weight of 261.12 g/mol. Its IUPAC name is 2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol
PubChem CID15547804
Molecular FormulaC10H13BrO3
Molecular Weight261.12 g/mol
Exact Mass260.00
IUPAC Name2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol
SMILESCOc1cc(C(C)(C)O)cc(Br)c1O
InChIInChI=1S/C10H13BrO3/c1-10(2,13)6-4-7(11)9(12)8(5-6)14-3/h4-5,12-13H,1-3H3
InChIKeyGUKUNIIGDGLIOR-UHFFFAOYSA-N
XLogP2.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol
CID 117286306
2-bromo-4-fluoro-6-methoxyphenol
CID 58419882
2-bromo-6-methoxy-4-(trifluoromethoxy)phenol
CID 131277927
2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
CID 117498005
2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117300512
3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol
CID 117470204
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenoxy)propan-2-yl]phenol
CID 162345229
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-hydrazinyl-2-methylpropanenitrile
CID 169435046
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromo-6-methoxyphenol
CID 66512189
2-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]propan-2-ol
CID 117404583
2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetate
CID 7016572

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol?
The IUPAC name of 2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol (CID 15547804) is 2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol is COc1cc(C(C)(C)O)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol?
The InChIKey is GUKUNIIGDGLIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-10(2,13)6-4-7(11)9(12)8(5-6)14-3/h4-5,12-13H,1-3H3.
What are the key properties of 2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol?
2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol has a molecular weight of 261.12 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol is sourced from PubChem (CID 15547804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).