1-(2-bromophenoxy)cyclopropane-1-carboxylic acid

C10H9BrO3 — CID 130480790

IUPAC1-(2-bromophenoxy)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Oc2ccccc2Br)CC1
InChIInChI=1S/C10H9BrO3/c11-7-3-1-2-4-8(7)14-10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKeyPEGQFLHUCLTGNQ-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.45
Rot. Bonds3

About 1-(2-bromophenoxy)cyclopropane-1-carboxylic acid

1-(2-bromophenoxy)cyclopropane-1-carboxylic acid (PubChem CID 130480790) has the molecular formula C10H9BrO3 and a molecular weight of 257.08 g/mol. Its IUPAC name is 1-(2-bromophenoxy)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromophenoxy)cyclopropane-1-carboxylic acid
PubChem CID130480790
Molecular FormulaC10H9BrO3
Molecular Weight257.08 g/mol
Exact Mass255.97
IUPAC Name1-(2-bromophenoxy)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Oc2ccccc2Br)CC1
InChIInChI=1S/C10H9BrO3/c11-7-3-1-2-4-8(7)14-10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKeyPEGQFLHUCLTGNQ-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenoxy)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-bromophenoxy)cyclopropane-1-carboxylic acid (CID 130480790) is 1-(2-bromophenoxy)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-bromophenoxy)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-bromophenoxy)cyclopropane-1-carboxylic acid is O=C(O)C1(Oc2ccccc2Br)CC1.
What is the InChIKey of 1-(2-bromophenoxy)cyclopropane-1-carboxylic acid?
The InChIKey is PEGQFLHUCLTGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO3/c11-7-3-1-2-4-8(7)14-10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13).
What are the key properties of 1-(2-bromophenoxy)cyclopropane-1-carboxylic acid?
1-(2-bromophenoxy)cyclopropane-1-carboxylic acid has a molecular weight of 257.08 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenoxy)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130480790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).