1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid

C11H11BrO2 — CID 83488510

IUPAC1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid
SMILESCC1CC1(C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C11H11BrO2/c1-7-6-11(7,10(13)14)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyNOKZALWWKQFOEA-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.81
Rot. Bonds2

About 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid

1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid (PubChem CID 83488510) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid
PubChem CID83488510
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid
SMILESCC1CC1(C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C11H11BrO2/c1-7-6-11(7,10(13)14)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyNOKZALWWKQFOEA-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate
CID 116843024
1-(3-bromophenyl)-3-hydroxycyclopentane-1-carboxylic acid
CID 115052218
trans-methyl (1R,2S)-1-(3-bromophenyl)-2-phenylcyclopropane-1-carboxylate
CID 139247056
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 58563114
1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 76831250
1-bromo-3-(1,3-dimethylcyclobutyl)benzene
CID 169179342
4-(3-bromophenyl)bicyclo[2.2.2]octane-1-carboxylic acid
CID 59610207
1-(3-chlorophenyl)-2-methylcyclobutane-1-carboxylic acid
CID 66432381
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
ethyl 2-[1-(3-bromophenyl)-3-hydroxycyclobutyl]acetate
CID 139349540
methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate
CID 115052116

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid (CID 83488510) is 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid is CC1CC1(C(=O)O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is NOKZALWWKQFOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-7-6-11(7,10(13)14)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid?
1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 255.11 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 83488510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).