1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol

C12H15BrO4 — CID 117487902

IUPAC1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol
SMILESCOc1cc(Br)c(C2(O)CC2)c(OC)c1OC
InChIInChI=1S/C12H15BrO4/c1-15-8-6-7(13)9(12(14)4-5-12)11(17-3)10(8)16-2/h6,14H,4-5H2,1-3H3
InChIKeyLCSQZIJJMBTKIM-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.46
Rot. Bonds4

About 1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol

1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol (PubChem CID 117487902) has the molecular formula C12H15BrO4 and a molecular weight of 303.15 g/mol. Its IUPAC name is 1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol
PubChem CID117487902
Molecular FormulaC12H15BrO4
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC Name1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol
SMILESCOc1cc(Br)c(C2(O)CC2)c(OC)c1OC
InChIInChI=1S/C12H15BrO4/c1-15-8-6-7(13)9(12(14)4-5-12)11(17-3)10(8)16-2/h6,14H,4-5H2,1-3H3
InChIKeyLCSQZIJJMBTKIM-UHFFFAOYSA-N
XLogP2.46
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol
CID 117466714
5-bromo-4-(1-hydroxycyclopropyl)-2,3-dimethoxybenzaldehyde
CID 117484846
1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol
CID 117435002
1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117462959
2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363638
3-chloro-2-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363639
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
1-(6-bromo-2,3,4-trimethoxyphenyl)ethanone
CID 117466722
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-(4-bromo-5-fluoro-2-methoxyphenyl)cyclopropan-1-ol
CID 84806667
1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol
CID 117302785

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol (CID 117487902) is 1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol is COc1cc(Br)c(C2(O)CC2)c(OC)c1OC.
What is the InChIKey of 1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol?
The InChIKey is LCSQZIJJMBTKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO4/c1-15-8-6-7(13)9(12(14)4-5-12)11(17-3)10(8)16-2/h6,14H,4-5H2,1-3H3.
What are the key properties of 1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol?
1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol has a molecular weight of 303.15 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117487902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).