2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid

C14H18Br2O3 — CID 11463526

IUPAC2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid
SMILESCCC(CC)COc1c(Br)cc(CC(=O)O)cc1Br
InChIInChI=1S/C14H18Br2O3/c1-3-9(4-2)8-19-14-11(15)5-10(6-12(14)16)7-13(17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyWDJZIEHFYCTEMU-UHFFFAOYSA-N
MW394.10 g/mol
LogP4.65
Rot. Bonds7

About 2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid

2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid (PubChem CID 11463526) has the molecular formula C14H18Br2O3 and a molecular weight of 394.10 g/mol. Its IUPAC name is 2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid
PubChem CID11463526
Molecular FormulaC14H18Br2O3
Molecular Weight394.10 g/mol
Exact Mass391.96
IUPAC Name2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid
SMILESCCC(CC)COc1c(Br)cc(CC(=O)O)cc1Br
InChIInChI=1S/C14H18Br2O3/c1-3-9(4-2)8-19-14-11(15)5-10(6-12(14)16)7-13(17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyWDJZIEHFYCTEMU-UHFFFAOYSA-N
XLogP4.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.10
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bromoxynil octanoate
CID 15533
Bromoxynil heptanoate
CID 62119
3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)phenylacetic acid
CID 9933119
3-{3,5-Dibromo-4-[(3-methylphenyl)methoxy]phenyl}propanoic acid
CID 10113366
2-[3,5-dibromo-4-(cyclohexylmethoxy)phenyl]acetic Acid
CID 10135986
3-{3,5-Dibromo-4-[(4-methylphenyl)methoxy]phenyl}propanoic acid
CID 10137392
2-[3,5-Dibromo-4-(hexyloxy)phenyl]acetic acid
CID 11153607
3-[3,5-dibromo-4-(cyclohexylmethoxy)phenyl]propanoic Acid
CID 11247142
3-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]propanoic Acid
CID 11281247
3-[3,5-Dibromo-4-(hexyloxy)phenyl]propanoic acid
CID 11350323
3-{3,5-Dibromo-4-[(3-bromophenyl)methoxy]phenyl}propanoic acid
CID 16730429
3-{3,5-Dibromo-4-[(2-methylphenyl)methoxy]phenyl}propanoic acid
CID 23648093

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid?
The IUPAC name of 2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid (CID 11463526) is 2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid is CCC(CC)COc1c(Br)cc(CC(=O)O)cc1Br.
What is the InChIKey of 2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid?
The InChIKey is WDJZIEHFYCTEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2O3/c1-3-9(4-2)8-19-14-11(15)5-10(6-12(14)16)7-13(17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid?
2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid has a molecular weight of 394.10 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dibromo-4-(2-ethylbutoxy)phenyl]acetic acid is sourced from PubChem (CID 11463526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).