2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid

C13H15BrO2 — CID 84812580

IUPAC2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid
SMILESCc1cc(C)c(C2(CC(=O)O)CC2)cc1Br
InChIInChI=1S/C13H15BrO2/c1-8-5-9(2)11(14)6-10(8)13(3-4-13)7-12(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyQPTFJMKRNJOGSK-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.57
Rot. Bonds3

About 2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid

2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid (PubChem CID 84812580) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid
PubChem CID84812580
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid
SMILESCc1cc(C)c(C2(CC(=O)O)CC2)cc1Br
InChIInChI=1S/C13H15BrO2/c1-8-5-9(2)11(14)6-10(8)13(3-4-13)7-12(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyQPTFJMKRNJOGSK-UHFFFAOYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84788583
2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
CID 84808527
2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
CID 82082492
2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid
CID 84780127
2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid
CID 84789847
2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84799380
2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid
CID 84809237
2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid
CID 117462835
2-[1-(4-bromo-2-methoxy-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 117498243
2-[1-(4-bromo-2-hydroxy-3,6-dimethylphenyl)cyclopropyl]acetic acid
CID 84816126
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
3-[1-(carboxymethyl)cyclopropyl]-4,5-dimethylbenzoic acid
CID 117373292

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid (CID 84812580) is 2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid is Cc1cc(C)c(C2(CC(=O)O)CC2)cc1Br.
What is the InChIKey of 2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid?
The InChIKey is QPTFJMKRNJOGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-8-5-9(2)11(14)6-10(8)13(3-4-13)7-12(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid?
2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid has a molecular weight of 283.16 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84812580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).