3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid

C22H19ClO3 — CID 51350404

IUPAC3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1
InChIInChI=1S/C22H19ClO3/c23-21-7-2-1-6-20(21)18-5-3-4-17(14-18)15-26-19-11-8-16(9-12-19)10-13-22(24)25/h1-9,11-12,14H,10,13,15H2,(H,24,25)
InChIKeyIGUHNQJKNPCQFF-UHFFFAOYSA-N
MW366.84 g/mol
LogP5.60
Rot. Bonds7

About 3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid

3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid (PubChem CID 51350404) has the molecular formula C22H19ClO3 and a molecular weight of 366.84 g/mol. Its IUPAC name is 3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid
PubChem CID51350404
Molecular FormulaC22H19ClO3
Molecular Weight366.84 g/mol
Exact Mass366.10
IUPAC Name3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1
InChIInChI=1S/C22H19ClO3/c23-21-7-2-1-6-20(21)18-5-3-4-17(14-18)15-26-19-11-8-16(9-12-19)10-13-22(24)25/h1-9,11-12,14H,10,13,15H2,(H,24,25)
InChIKeyIGUHNQJKNPCQFF-UHFFFAOYSA-N
XLogP5.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.84
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid (CID 51350404) is 3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1.
What is the InChIKey of 3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid?
The InChIKey is IGUHNQJKNPCQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClO3/c23-21-7-2-1-6-20(21)18-5-3-4-17(14-18)15-26-19-11-8-16(9-12-19)10-13-22(24)25/h1-9,11-12,14H,10,13,15H2,(H,24,25).
What are the key properties of 3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid?
3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid has a molecular weight of 366.84 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 51350404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).