3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid

C15H12Cl2O3 — CID 20993091

IUPAC3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2O3/c16-11-4-7-14(13(17)9-11)20-12-5-1-10(2-6-12)3-8-15(18)19/h1-2,4-7,9H,3,8H2,(H,18,19)
InChIKeyFMPYGTZFTZZLBV-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.80
Rot. Bonds5

About 3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid

3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid (PubChem CID 20993091) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid
PubChem CID20993091
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2O3/c16-11-4-7-14(13(17)9-11)20-12-5-1-10(2-6-12)3-8-15(18)19/h1-2,4-7,9H,3,8H2,(H,18,19)
InChIKeyFMPYGTZFTZZLBV-UHFFFAOYSA-N
XLogP4.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid?
The IUPAC name of 3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid (CID 20993091) is 3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid is O=C(O)CCc1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid?
The InChIKey is FMPYGTZFTZZLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c16-11-4-7-14(13(17)9-11)20-12-5-1-10(2-6-12)3-8-15(18)19/h1-2,4-7,9H,3,8H2,(H,18,19).
What are the key properties of 3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid?
3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid has a molecular weight of 311.16 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dichlorophenoxy)phenyl]propanoic acid is sourced from PubChem (CID 20993091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).