2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid

C9H8BrClO4 — CID 175723799

IUPAC2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid
SMILESO=C(O)C(O)(CCl)Oc1ccc(Br)cc1
InChIInChI=1S/C9H8BrClO4/c10-6-1-3-7(4-2-6)15-9(14,5-11)8(12)13/h1-4,14H,5H2,(H,12,13)
InChIKeyHQJVDHCFFKFGHB-UHFFFAOYSA-N
MW295.52 g/mol
LogP1.84
Rot. Bonds4

About 2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid

2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid (PubChem CID 175723799) has the molecular formula C9H8BrClO4 and a molecular weight of 295.52 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid
PubChem CID175723799
Molecular FormulaC9H8BrClO4
Molecular Weight295.52 g/mol
Exact Mass293.93
IUPAC Name2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid
SMILESO=C(O)C(O)(CCl)Oc1ccc(Br)cc1
InChIInChI=1S/C9H8BrClO4/c10-6-1-3-7(4-2-6)15-9(14,5-11)8(12)13/h1-4,14H,5H2,(H,12,13)
InChIKeyHQJVDHCFFKFGHB-UHFFFAOYSA-N
XLogP1.84
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic 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-(4-bromophenoxy)-3-hydroxybutanoic acid
CID 22751463
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
diethyl 2,2-bis(4-bromophenoxy)propanedioate
CID 154094216
4-bromobenzoic acid;copper
CID 67824318
2-(4-bromophenoxy)-2,2-difluoroethanol
CID 118664754
4-[(4-bromophenyl)methoxy]-2-(4-hydroxyphenoxy)-2-methylbutanoic acid
CID 70537207
2-(4-bromophenoxy)-3-butan-2-yloxy-2-(hydroxymethyl)-3-oxopropanoic acid
CID 68671812
1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol
CID 169242990
2-(4-bromophenoxy)-2-methoxypropanamide
CID 90758901
1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene
CID 68761219
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid?
The IUPAC name of 2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid (CID 175723799) is 2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid.
What is the SMILES notation for 2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid?
The canonical SMILES for 2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid is O=C(O)C(O)(CCl)Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid?
The InChIKey is HQJVDHCFFKFGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO4/c10-6-1-3-7(4-2-6)15-9(14,5-11)8(12)13/h1-4,14H,5H2,(H,12,13).
What are the key properties of 2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid?
2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid has a molecular weight of 295.52 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-3-chloro-2-hydroxypropanoic acid is sourced from PubChem (CID 175723799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).