4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid

C11H10BrClO3 — CID 10357765

IUPAC4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid
SMILESO=C(O)CCC(Br)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H10BrClO3/c12-9(4-5-10(14)15)11(16)7-2-1-3-8(13)6-7/h1-3,6,9H,4-5H2,(H,14,15)
InChIKeyGLKDGUIUXBFTRW-UHFFFAOYSA-N
MW305.56 g/mol
LogP3.15
Rot. Bonds5

About 4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid

4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid (PubChem CID 10357765) has the molecular formula C11H10BrClO3 and a molecular weight of 305.56 g/mol. Its IUPAC name is 4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid
PubChem CID10357765
Molecular FormulaC11H10BrClO3
Molecular Weight305.56 g/mol
Exact Mass303.95
IUPAC Name4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid
SMILESO=C(O)CCC(Br)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H10BrClO3/c12-9(4-5-10(14)15)11(16)7-2-1-3-8(13)6-7/h1-3,6,9H,4-5H2,(H,14,15)
InChIKeyGLKDGUIUXBFTRW-UHFFFAOYSA-N
XLogP3.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 44543116
(2S)-2-[(3-chlorobenzoyl)amino]pentanedioic acid
CID 61152009
2,5-dibromo-1,6-diphenylhexane-1,6-dione
CID 2762432
(4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid
CID 129383494
2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione
CID 142644017
1-(3-chlorophenyl)-2-hydroxypentan-1-one
CID 67470935
4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid
CID 67999647
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 62050558
benzoic acid;3-chlorobenzoic acid
CID 162034638
4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511853

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid?
The IUPAC name of 4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid (CID 10357765) is 4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid.
What is the SMILES notation for 4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid?
The canonical SMILES for 4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid is O=C(O)CCC(Br)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid?
The InChIKey is GLKDGUIUXBFTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClO3/c12-9(4-5-10(14)15)11(16)7-2-1-3-8(13)6-7/h1-3,6,9H,4-5H2,(H,14,15).
What are the key properties of 4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid?
4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid has a molecular weight of 305.56 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid is sourced from PubChem (CID 10357765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).