3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol

C11H13BrO4 — CID 117466714

IUPAC3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol
SMILESCOc1cc(Br)c(C2(O)CC2)c(O)c1OC
InChIInChI=1S/C11H13BrO4/c1-15-7-5-6(12)8(11(14)3-4-11)9(13)10(7)16-2/h5,13-14H,3-4H2,1-2H3
InChIKeyBVAXWHDDHDVWDF-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.15
Rot. Bonds3

About 3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol

3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol (PubChem CID 117466714) has the molecular formula C11H13BrO4 and a molecular weight of 289.12 g/mol. Its IUPAC name is 3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol.

Molecular Properties

Compound Name3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol
PubChem CID117466714
Molecular FormulaC11H13BrO4
Molecular Weight289.12 g/mol
Exact Mass288.00
IUPAC Name3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol
SMILESCOc1cc(Br)c(C2(O)CC2)c(O)c1OC
InChIInChI=1S/C11H13BrO4/c1-15-7-5-6(12)8(11(14)3-4-11)9(13)10(7)16-2/h5,13-14H,3-4H2,1-2H3
InChIKeyBVAXWHDDHDVWDF-UHFFFAOYSA-N
XLogP2.15
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol
CID 117487902
3-bromo-2-(1-isocyanatocyclopropyl)-5,6-dimethoxyphenol
CID 117499069
2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363638
3-chloro-2-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363639
1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol
CID 117435002
5-bromo-4-(1-hydroxycyclopropyl)-2,3-dimethoxybenzaldehyde
CID 117484846
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol
CID 117470204
1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117499472
1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine
CID 117499483
1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117462959
1-(4-bromo-5-fluoro-2-methoxyphenyl)cyclopropan-1-ol
CID 84806667

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol?
The IUPAC name of 3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol (CID 117466714) is 3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol.
What is the SMILES notation for 3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol?
The canonical SMILES for 3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol is COc1cc(Br)c(C2(O)CC2)c(O)c1OC.
What is the InChIKey of 3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol?
The InChIKey is BVAXWHDDHDVWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO4/c1-15-7-5-6(12)8(11(14)3-4-11)9(13)10(7)16-2/h5,13-14H,3-4H2,1-2H3.
What are the key properties of 3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol?
3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol has a molecular weight of 289.12 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol is sourced from PubChem (CID 117466714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).