3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol

C11H15BrO4 — CID 117470204

IUPAC3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol
SMILESCOc1cc(Br)c(C(C)(C)O)c(O)c1OC
InChIInChI=1S/C11H15BrO4/c1-11(2,14)8-6(12)5-7(15-3)10(16-4)9(8)13/h5,13-14H,1-4H3
InChIKeyCHEGRHZTPCMMEN-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.40
Rot. Bonds3

About 3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol

3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol (PubChem CID 117470204) has the molecular formula C11H15BrO4 and a molecular weight of 291.14 g/mol. Its IUPAC name is 3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol.

Molecular Properties

Compound Name3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol
PubChem CID117470204
Molecular FormulaC11H15BrO4
Molecular Weight291.14 g/mol
Exact Mass290.02
IUPAC Name3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol
SMILESCOc1cc(Br)c(C(C)(C)O)c(O)c1OC
InChIInChI=1S/C11H15BrO4/c1-11(2,14)8-6(12)5-7(15-3)10(16-4)9(8)13/h5,13-14H,1-4H3
InChIKeyCHEGRHZTPCMMEN-UHFFFAOYSA-N
XLogP2.40
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol
CID 117473013
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
CID 165348100
2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117466975
2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 15547804
6,27-dibromo-8,11,16,17,22,25-hexamethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3,5,7,9,11,13,16,19,21,23,25,27,29-pentadecaene-5,28-diol
CID 11072684
2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
CID 117498005
5-bromo-2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486236
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol
CID 117466714
1-bromo-1-(3,4,5-trimethoxyphenyl)ethanol
CID 175796351
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
CID 117439684
3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117445523

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol?
The IUPAC name of 3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol (CID 117470204) is 3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol.
What is the SMILES notation for 3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol?
The canonical SMILES for 3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol is COc1cc(Br)c(C(C)(C)O)c(O)c1OC.
What is the InChIKey of 3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol?
The InChIKey is CHEGRHZTPCMMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO4/c1-11(2,14)8-6(12)5-7(15-3)10(16-4)9(8)13/h5,13-14H,1-4H3.
What are the key properties of 3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol?
3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol has a molecular weight of 291.14 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol is sourced from PubChem (CID 117470204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).