2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid

C16H15ClO4 — CID 117243423

IUPAC2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
SMILESCOc1cccc(OCC(C(=O)O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClO4/c1-20-13-6-3-7-14(9-13)21-10-15(16(18)19)11-4-2-5-12(17)8-11/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyMDWZWUATAIGBMB-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.60
Rot. Bonds6

About 2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid

2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid (PubChem CID 117243423) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
PubChem CID117243423
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
SMILESCOc1cccc(OCC(C(=O)O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClO4/c1-20-13-6-3-7-14(9-13)21-10-15(16(18)19)11-4-2-5-12(17)8-11/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyMDWZWUATAIGBMB-UHFFFAOYSA-N
XLogP3.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243432
2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid
CID 117243365
3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245230
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
CID 117245238
3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243386
3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid
CID 117244358
3-(3-chlorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244384
2-(3-chlorophenyl)-5-phenoxypentanoic acid
CID 79431082
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid?
The IUPAC name of 2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid (CID 117243423) is 2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid?
The canonical SMILES for 2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid is COc1cccc(OCC(C(=O)O)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid?
The InChIKey is MDWZWUATAIGBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-20-13-6-3-7-14(9-13)21-10-15(16(18)19)11-4-2-5-12(17)8-11/h2-9,15H,10H2,1H3,(H,18,19).
What are the key properties of 2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid?
2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid has a molecular weight of 306.75 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid is sourced from PubChem (CID 117243423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).