2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid

C11H11BrO2 — CID 116962934

IUPAC2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(Br)cc1C1CC1C(=O)O
InChIInChI=1S/C11H11BrO2/c1-6-2-3-7(12)4-8(6)9-5-10(9)11(13)14/h2-4,9-10H,5H2,1H3,(H,13,14)
InChIKeyRYHNJJBOOXOIQX-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.95
Rot. Bonds2

About 2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid

2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 116962934) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID116962934
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(Br)cc1C1CC1C(=O)O
InChIInChI=1S/C11H11BrO2/c1-6-2-3-7(12)4-8(6)9-5-10(9)11(13)14/h2-4,9-10H,5H2,1H3,(H,13,14)
InChIKeyRYHNJJBOOXOIQX-UHFFFAOYSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-2-(2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 94240840
trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299464
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
5-(5-bromo-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117457023
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
2-[(5-bromo-2-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116927077
trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 154832497
2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 81008472
N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 43806366
2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021403
2-(5-bromo-2-methylphenyl)-4-methylazetidine
CID 116822046
1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone
CID 43141135

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid (CID 116962934) is 2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid is Cc1ccc(Br)cc1C1CC1C(=O)O.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is RYHNJJBOOXOIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-6-2-3-7(12)4-8(6)9-5-10(9)11(13)14/h2-4,9-10H,5H2,1H3,(H,13,14).
What are the key properties of 2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid?
2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 255.11 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116962934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).