1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid

C11H11BrO4 — CID 117462781

IUPAC1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(Br)c(C2(C(=O)O)CC2)c1O
InChIInChI=1S/C11H11BrO4/c1-16-7-3-2-6(12)8(9(7)13)11(4-5-11)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyYTXQYPMGLSIWFI-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.28
Rot. Bonds3

About 1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid

1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117462781) has the molecular formula C11H11BrO4 and a molecular weight of 287.11 g/mol. Its IUPAC name is 1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117462781
Molecular FormulaC11H11BrO4
Molecular Weight287.11 g/mol
Exact Mass285.98
IUPAC Name1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(Br)c(C2(C(=O)O)CC2)c1O
InChIInChI=1S/C11H11BrO4/c1-16-7-3-2-6(12)8(9(7)13)11(4-5-11)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyYTXQYPMGLSIWFI-UHFFFAOYSA-N
XLogP2.28
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344776
1-(6-bromo-2,3-dihydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117462709
1-(2-fluoro-6-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 84790848
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117394900
1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117478644
1-(3-bromo-6-methoxy-2,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 138473188
1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117466659
1-(2-fluoro-3,6-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388593
1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426
ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 143872791
3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117434988

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 117462781) is 1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid is COc1ccc(Br)c(C2(C(=O)O)CC2)c1O.
What is the InChIKey of 1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is YTXQYPMGLSIWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO4/c1-16-7-3-2-6(12)8(9(7)13)11(4-5-11)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid?
1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 287.11 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117462781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).