2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid

C21H17ClO4 — CID 25110733

IUPAC2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(Oc2ccccc2)c1)Oc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClO4/c22-16-9-11-18(12-10-16)26-20(21(23)24)14-15-5-4-8-19(13-15)25-17-6-2-1-3-7-17/h1-13,20H,14H2,(H,23,24)
InChIKeyDKBQUFWMBYWUDK-UHFFFAOYSA-N
MW368.82 g/mol
LogP5.21
Rot. Bonds7

About 2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid

2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid (PubChem CID 25110733) has the molecular formula C21H17ClO4 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid
PubChem CID25110733
Molecular FormulaC21H17ClO4
Molecular Weight368.82 g/mol
Exact Mass368.08
IUPAC Name2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(Oc2ccccc2)c1)Oc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClO4/c22-16-9-11-18(12-10-16)26-20(21(23)24)14-15-5-4-8-19(13-15)25-17-6-2-1-3-7-17/h1-13,20H,14H2,(H,23,24)
InChIKeyDKBQUFWMBYWUDK-UHFFFAOYSA-N
XLogP5.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.82
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2r)-(4-Chlorophenyl)[3-(Trifluoromethyl)phenoxy]ethanoic Acid
CID 12082255
(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
CID 11460087
Metaglidasen
CID 9949411
2-(2,3-Bis(2-chlorobenzyloxy)phenyl)acetic acid
CID 10126984
Bms-480404
CID 16046219
Fenirofibrate
CID 68715
(2s)-(4-Chlorophenyl)[3-(Trifluoromethyl)phenoxy]ethanoic Acid
CID 12082256
7-(3-(2-Propyl-4-(4-chlorophenoxy)phenoxy)propoxy)-2-ethylchromane-2-carboxylic acid
CID 10301814
(R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2-methyl-phenyl}-propionic acid
CID 16085985
(R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2-ethyl-phenyl}-propionic acid
CID 16085988
2-(2,3-Bis(2-chlorobenzyloxy)phenyl)-2-methoxyacetic acid
CID 22258075
2-(3,4-Dihydroxyphenyl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 141447375

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid?
The IUPAC name of 2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid (CID 25110733) is 2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid is O=C(O)C(Cc1cccc(Oc2ccccc2)c1)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid?
The InChIKey is DKBQUFWMBYWUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO4/c22-16-9-11-18(12-10-16)26-20(21(23)24)14-15-5-4-8-19(13-15)25-17-6-2-1-3-7-17/h1-13,20H,14H2,(H,23,24).
What are the key properties of 2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid?
2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid has a molecular weight of 368.82 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid is sourced from PubChem (CID 25110733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).