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

C16H15ClO4 — CID 117243365

IUPAC2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid
SMILESCOc1ccccc1OCC(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClO4/c1-20-14-7-2-3-8-15(14)21-10-13(16(18)19)11-5-4-6-12(17)9-11/h2-9,13H,10H2,1H3,(H,18,19)
InChIKeyOGVPLAZZVSDEDU-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.60
Rot. Bonds6

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

2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid (PubChem CID 117243365) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid
PubChem CID117243365
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid
SMILESCOc1ccccc1OCC(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClO4/c1-20-14-7-2-3-8-15(14)21-10-13(16(18)19)11-5-4-6-12(17)9-11/h2-9,13H,10H2,1H3,(H,18,19)
InChIKeyOGVPLAZZVSDEDU-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

2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
CID 117243423
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243386
3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243432
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960443
3-(2-fluorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243377
2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid
CID 82136686
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
2-(3-chlorophenyl)-5-phenoxypentanoic acid
CID 79431082

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid?
The IUPAC name of 2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid (CID 117243365) is 2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid?
The canonical SMILES for 2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid is COc1ccccc1OCC(C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid?
The InChIKey is OGVPLAZZVSDEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-20-14-7-2-3-8-15(14)21-10-13(16(18)19)11-5-4-6-12(17)9-11/h2-9,13H,10H2,1H3,(H,18,19).
What are the key properties of 2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid?
2-(3-chlorophenyl)-3-(2-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-(2-methoxyphenoxy)propanoic acid is sourced from PubChem (CID 117243365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).