4-(3,4-dichlorophenyl)butanoic acid

C10H10Cl2O2 — CID 599104

IUPAC4-(3,4-dichlorophenyl)butanoic acid
SMILESO=C(O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2O2/c11-8-5-4-7(6-9(8)12)2-1-3-10(13)14/h4-6H,1-3H2,(H,13,14)
InChIKeyDCRORIUPKZBSCY-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.40
Rot. Bonds4

About 4-(3,4-dichlorophenyl)butanoic acid

4-(3,4-dichlorophenyl)butanoic acid (PubChem CID 599104) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)butanoic acid.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)butanoic acid
PubChem CID599104
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name4-(3,4-dichlorophenyl)butanoic acid
SMILESO=C(O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2O2/c11-8-5-4-7(6-9(8)12)2-1-3-10(13)14/h4-6H,1-3H2,(H,13,14)
InChIKeyDCRORIUPKZBSCY-UHFFFAOYSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)butanoic acid?
The IUPAC name of 4-(3,4-dichlorophenyl)butanoic acid (CID 599104) is 4-(3,4-dichlorophenyl)butanoic acid.
What is the SMILES notation for 4-(3,4-dichlorophenyl)butanoic acid?
The canonical SMILES for 4-(3,4-dichlorophenyl)butanoic acid is O=C(O)CCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)butanoic acid?
The InChIKey is DCRORIUPKZBSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c11-8-5-4-7(6-9(8)12)2-1-3-10(13)14/h4-6H,1-3H2,(H,13,14).
What are the key properties of 4-(3,4-dichlorophenyl)butanoic acid?
4-(3,4-dichlorophenyl)butanoic acid has a molecular weight of 233.09 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)butanoic acid is sourced from PubChem (CID 599104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).