2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid

C17H16Br2O5 — CID 10049872

IUPAC2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid
SMILESCC(C)c1cc(Oc2c(Br)cc(OCC(=O)O)cc2Br)ccc1O
InChIInChI=1S/C17H16Br2O5/c1-9(2)12-5-10(3-4-15(12)20)24-17-13(18)6-11(7-14(17)19)23-8-16(21)22/h3-7,9,20H,8H2,1-2H3,(H,21,22)
InChIKeyUUUBSJYRKJGJIB-UHFFFAOYSA-N
MW460.12 g/mol
LogP5.30
Rot. Bonds6

About 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid

2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid (PubChem CID 10049872) has the molecular formula C17H16Br2O5 and a molecular weight of 460.12 g/mol. Its IUPAC name is 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid
PubChem CID10049872
Molecular FormulaC17H16Br2O5
Molecular Weight460.12 g/mol
Exact Mass457.94
IUPAC Name2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid
SMILESCC(C)c1cc(Oc2c(Br)cc(OCC(=O)O)cc2Br)ccc1O
InChIInChI=1S/C17H16Br2O5/c1-9(2)12-5-10(3-4-15(12)20)24-17-13(18)6-11(7-14(17)19)23-8-16(21)22/h3-7,9,20H,8H2,1-2H3,(H,21,22)
InChIKeyUUUBSJYRKJGJIB-UHFFFAOYSA-N
XLogP5.30
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.12
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]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

3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)phenylacetic acid
CID 9933119
3,5-Dibromo-4-(3-Isopropyl-Phenoxy)benzoic Acid
CID 10456830
[4-(4-Hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenoxy]-acetic acid
CID 10246057
[3,5-Dibromo-4-(4''-hydroxy-3''-isopropylphenoxy)phenoxy]methylphosphonicAcid
CID 15941997
(Z)-2-(4-(4-(4-bromophenyl)-6-phenylhex-2-en-5-ynyloxy)-2-methylphenoxy)acetic acid
CID 44432838
(Z)-2-(4-(4-(4-bromophenyl)-6-(4-(hydroxymethyl)phenyl)hex-2-en-5-ynyloxy)-2-methylphenoxy)acetic acid
CID 44432848
2-[3,5-Dibromo-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]acetic acid
CID 132145549
2-[4-[(E)-3-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enoxy]-2-methylphenoxy]propanoic acid
CID 67146588
2-[4-[(Z)-3-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enoxy]-2-methylphenoxy]propanoic acid
CID 67146589
2-[4-[3-(4-Bromophenyl)-3-(4-fluorophenyl)prop-2-enoxy]-2-methylphenoxy]propanoic acid
CID 67146591
2-[4-[(E)-3-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enoxy]-2-methylphenoxy]acetic acid
CID 69006417
2-[4-[(Z)-3-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enoxy]-2-methylphenoxy]acetic acid
CID 69006418

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid?
The IUPAC name of 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid (CID 10049872) is 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid.
What is the SMILES notation for 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid?
The canonical SMILES for 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid is CC(C)c1cc(Oc2c(Br)cc(OCC(=O)O)cc2Br)ccc1O.
What is the InChIKey of 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid?
The InChIKey is UUUBSJYRKJGJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2O5/c1-9(2)12-5-10(3-4-15(12)20)24-17-13(18)6-11(7-14(17)19)23-8-16(21)22/h3-7,9,20H,8H2,1-2H3,(H,21,22).
What are the key properties of 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid?
2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid has a molecular weight of 460.12 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenoxy]acetic acid is sourced from PubChem (CID 10049872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).