1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid

C11H11BrO3 — CID 84712843

IUPAC1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(COc2ccccc2Br)CC1
InChIInChI=1S/C11H11BrO3/c12-8-3-1-2-4-9(8)15-7-11(5-6-11)10(13)14/h1-4H,5-7H2,(H,13,14)
InChIKeyXZYHXXIKECXFCN-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.69
Rot. Bonds4

About 1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid

1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid (PubChem CID 84712843) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid
PubChem CID84712843
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(COc2ccccc2Br)CC1
InChIInChI=1S/C11H11BrO3/c12-8-3-1-2-4-9(8)15-7-11(5-6-11)10(13)14/h1-4H,5-7H2,(H,13,14)
InChIKeyXZYHXXIKECXFCN-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120515100
1-(2-bromophenoxy)cyclopropane-1-carboxylic acid
CID 130480790
1-[(2-bromophenoxy)methyl]cyclobutan-1-amine
CID 84708808
1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid
CID 66025511
1-(benzoyloxymethyl)cyclopropane-1-carboxylic acid
CID 174589063
2-[1-[(2-bromophenoxy)methyl]cyclopropyl]ethanethioamide
CID 65495996
[1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine
CID 82134815
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid
CID 19176585
1-[[(2-bromophenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242975
7-(2-bromophenoxy)heptanoic acid
CID 39423766
N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide
CID 113099576

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid (CID 84712843) is 1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(COc2ccccc2Br)CC1.
What is the InChIKey of 1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is XZYHXXIKECXFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c12-8-3-1-2-4-9(8)15-7-11(5-6-11)10(13)14/h1-4H,5-7H2,(H,13,14).
What are the key properties of 1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid?
1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 271.11 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84712843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).