3-[2-(4-chlorophenoxy)phenyl]propanoic acid

C15H13ClO3 — CID 2764439

IUPAC3-[2-(4-chlorophenoxy)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14-4-2-1-3-11(14)5-10-15(17)18/h1-4,6-9H,5,10H2,(H,17,18)
InChIKeyVGRZXMDTEJGFQM-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.15
Rot. Bonds5

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

3-[2-(4-chlorophenoxy)phenyl]propanoic acid (PubChem CID 2764439) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-[2-(4-chlorophenoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-chlorophenoxy)phenyl]propanoic acid
PubChem CID2764439
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name3-[2-(4-chlorophenoxy)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14-4-2-1-3-11(14)5-10-15(17)18/h1-4,6-9H,5,10H2,(H,17,18)
InChIKeyVGRZXMDTEJGFQM-UHFFFAOYSA-N
XLogP4.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
amino 2-[2-(4-chlorophenoxy)phenyl]acetate
CID 66824654
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one
CID 22998022
3-[2-(4-chlorophenoxy)phenyl]-1-piperazin-1-ylpropan-1-one;toluene
CID 143559342
1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
CID 143444717
3-(2-fluorophenyl)propanoic acid
CID 2063866
methyl 3-(5-chloro-2-phenoxyphenyl)propanoate
CID 70289797
4-[3-(4-chlorophenoxy)-2-methylphenoxy]butanoic acid
CID 175360450
(2S)-2-amino-4-[bis[[2-(4-chlorophenoxy)phenyl]methyl]amino]butanoic acid
CID 127035812
3-[2-[2,3-di(propan-2-yl)phenoxy]phenyl]propanoic acid
CID 57261152
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenoxy)phenyl]propanoic acid?
The IUPAC name of 3-[2-(4-chlorophenoxy)phenyl]propanoic acid (CID 2764439) is 3-[2-(4-chlorophenoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(4-chlorophenoxy)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(4-chlorophenoxy)phenyl]propanoic acid is O=C(O)CCc1ccccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenoxy)phenyl]propanoic acid?
The InChIKey is VGRZXMDTEJGFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14-4-2-1-3-11(14)5-10-15(17)18/h1-4,6-9H,5,10H2,(H,17,18).
What are the key properties of 3-[2-(4-chlorophenoxy)phenyl]propanoic acid?
3-[2-(4-chlorophenoxy)phenyl]propanoic acid has a molecular weight of 276.72 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenoxy)phenyl]propanoic acid is sourced from PubChem (CID 2764439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).