2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid

C12H13BrO3 — CID 175669181

IUPAC2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid
SMILESCOc1ccc(Br)c(C(C(=O)O)C2CC2)c1
InChIInChI=1S/C12H13BrO3/c1-16-8-4-5-10(13)9(6-8)11(12(14)15)7-2-3-7/h4-7,11H,2-3H2,1H3,(H,14,15)
InChIKeyRHBPUAPVRSXACP-UHFFFAOYSA-N
MW285.14 g/mol
LogP3.04
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid

2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid (PubChem CID 175669181) has the molecular formula C12H13BrO3 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid
PubChem CID175669181
Molecular FormulaC12H13BrO3
Molecular Weight285.14 g/mol
Exact Mass284.00
IUPAC Name2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid
SMILESCOc1ccc(Br)c(C(C(=O)O)C2CC2)c1
InChIInChI=1S/C12H13BrO3/c1-16-8-4-5-10(13)9(6-8)11(12(14)15)7-2-3-7/h4-7,11H,2-3H2,1H3,(H,14,15)
InChIKeyRHBPUAPVRSXACP-UHFFFAOYSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid
CID 175669177
2-(2-bromo-4,5-dimethoxyphenyl)-2-cyclopropylacetic acid
CID 175668604
(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 69148385
(R)-(2-bromo-5-methoxyphenyl)-cyclopropylmethanamine
CID 130690671
2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid
CID 82487741
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
(2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
CID 124681138
(2S)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
CID 124681142
2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid
CID 175669167
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
CID 131313230
(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 171224429

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid (CID 175669181) is 2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid is COc1ccc(Br)c(C(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid?
The InChIKey is RHBPUAPVRSXACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO3/c1-16-8-4-5-10(13)9(6-8)11(12(14)15)7-2-3-7/h4-7,11H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid?
2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid has a molecular weight of 285.14 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid is sourced from PubChem (CID 175669181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).