2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid

C12H13BrO2 — CID 84712336

IUPAC2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid
SMILESCC1(c2ccccc2Br)CC1CC(=O)O
InChIInChI=1S/C12H13BrO2/c1-12(7-8(12)6-11(14)15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyQACVUPIVEPTQQD-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.20
Rot. Bonds3

About 2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid

2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid (PubChem CID 84712336) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid
PubChem CID84712336
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid
SMILESCC1(c2ccccc2Br)CC1CC(=O)O
InChIInChI=1S/C12H13BrO2/c1-12(7-8(12)6-11(14)15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyQACVUPIVEPTQQD-UHFFFAOYSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid?
The IUPAC name of 2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid (CID 84712336) is 2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid.
What is the SMILES notation for 2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid?
The canonical SMILES for 2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid is CC1(c2ccccc2Br)CC1CC(=O)O.
What is the InChIKey of 2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid?
The InChIKey is QACVUPIVEPTQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-12(7-8(12)6-11(14)15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid?
2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid has a molecular weight of 269.14 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)-2-methylcyclopropyl]acetic acid is sourced from PubChem (CID 84712336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).