3-(3,5-dichlorophenyl)pentanoic acid

C11H12Cl2O2 — CID 83950178

IUPAC3-(3,5-dichlorophenyl)pentanoic acid
SMILESCCC(CC(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2O2/c1-2-7(5-11(14)15)8-3-9(12)6-10(13)4-8/h3-4,6-7H,2,5H2,1H3,(H,14,15)
InChIKeyDBIOQZSXDVBYQX-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.96
Rot. Bonds4

About 3-(3,5-dichlorophenyl)pentanoic acid

3-(3,5-dichlorophenyl)pentanoic acid (PubChem CID 83950178) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)pentanoic acid.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)pentanoic acid
PubChem CID83950178
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name3-(3,5-dichlorophenyl)pentanoic acid
SMILESCCC(CC(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2O2/c1-2-7(5-11(14)15)8-3-9(12)6-10(13)4-8/h3-4,6-7H,2,5H2,1H3,(H,14,15)
InChIKeyDBIOQZSXDVBYQX-UHFFFAOYSA-N
XLogP3.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)pentanoic acid?
The IUPAC name of 3-(3,5-dichlorophenyl)pentanoic acid (CID 83950178) is 3-(3,5-dichlorophenyl)pentanoic acid.
What is the SMILES notation for 3-(3,5-dichlorophenyl)pentanoic acid?
The canonical SMILES for 3-(3,5-dichlorophenyl)pentanoic acid is CCC(CC(=O)O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)pentanoic acid?
The InChIKey is DBIOQZSXDVBYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-2-7(5-11(14)15)8-3-9(12)6-10(13)4-8/h3-4,6-7H,2,5H2,1H3,(H,14,15).
What are the key properties of 3-(3,5-dichlorophenyl)pentanoic acid?
3-(3,5-dichlorophenyl)pentanoic acid has a molecular weight of 247.12 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)pentanoic acid is sourced from PubChem (CID 83950178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).