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

C21H17ClO3 — CID 22684959

IUPAC3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccc(Oc2ccccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C21H17ClO3/c22-19-8-4-5-9-20(19)25-17-12-10-15(11-13-17)14-18(21(23)24)16-6-2-1-3-7-16/h1-13,18H,14H2,(H,23,24)
InChIKeyWNVDMUBYHVYEPF-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.54
Rot. Bonds6

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

3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid (PubChem CID 22684959) has the molecular formula C21H17ClO3 and a molecular weight of 352.82 g/mol. Its IUPAC name is 3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid
PubChem CID22684959
Molecular FormulaC21H17ClO3
Molecular Weight352.82 g/mol
Exact Mass352.09
IUPAC Name3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccc(Oc2ccccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C21H17ClO3/c22-19-8-4-5-9-20(19)25-17-12-10-15(11-13-17)14-18(21(23)24)16-6-2-1-3-7-16/h1-13,18H,14H2,(H,23,24)
InChIKeyWNVDMUBYHVYEPF-UHFFFAOYSA-N
XLogP5.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-bromophenoxy)phenyl]-2-phenylpropanoic acid
CID 20984736
(2S)-2,3-diphenylpropanoic acid
CID 737125
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20986100
3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid
CID 82160480
2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid
CID 22686452
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
[4-(2-chlorophenoxy)phenyl]methanamine
CID 5152206
(2S)-2-[4-(2-chlorophenoxy)anilino]-2-phenylacetamide
CID 25344822
3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid
CID 13002628

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid?
The IUPAC name of 3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid (CID 22684959) is 3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid?
The canonical SMILES for 3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid is O=C(O)C(Cc1ccc(Oc2ccccc2Cl)cc1)c1ccccc1.
What is the InChIKey of 3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid?
The InChIKey is WNVDMUBYHVYEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO3/c22-19-8-4-5-9-20(19)25-17-12-10-15(11-13-17)14-18(21(23)24)16-6-2-1-3-7-16/h1-13,18H,14H2,(H,23,24).
What are the key properties of 3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid?
3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid has a molecular weight of 352.82 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid is sourced from PubChem (CID 22684959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).