1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid

C11H11BrO3 — CID 117430241

IUPAC1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CC2)cc(Br)c1O
InChIInChI=1S/C11H11BrO3/c1-6-4-7(5-8(12)9(6)13)11(2-3-11)10(14)15/h4-5,13H,2-3H2,1H3,(H,14,15)
InChIKeyCHYTXMTWSZFICE-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.58
Rot. Bonds2

About 1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid

1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117430241) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117430241
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CC2)cc(Br)c1O
InChIInChI=1S/C11H11BrO3/c1-6-4-7(5-8(12)9(6)13)11(2-3-11)10(14)15/h4-5,13H,2-3H2,1H3,(H,14,15)
InChIKeyCHYTXMTWSZFICE-UHFFFAOYSA-N
XLogP2.58
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-hydroxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117458909
1-(3,4-dihydroxy-5-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344786
1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid
CID 117481833
1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 83731582
1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 117336685
ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate
CID 143988638
1-[3-(difluoromethyl)-4-hydroxy-5-methylphenyl]cyclohexane-1-carboxylic acid
CID 117457683
1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117498418
1-(3-bromo-2-hydroxy-4,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117458823
1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 84811106
methyl 1-(4-hydroxy-3-iodo-5-methylphenyl)cyclopropane-1-carboxylate
CID 59272528
1-[3-bromo-4-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid
CID 117457005

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid (CID 117430241) is 1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CC2)cc(Br)c1O.
What is the InChIKey of 1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is CHYTXMTWSZFICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-6-4-7(5-8(12)9(6)13)11(2-3-11)10(14)15/h4-5,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid?
1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 271.11 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117430241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).