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

C17H18O4 — CID 133148719

IUPAC2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
SMILESCOc1cccc(OC(Cc2cccc(C)c2)C(=O)O)c1
InChIInChI=1S/C17H18O4/c1-12-5-3-6-13(9-12)10-16(17(18)19)21-15-8-4-7-14(11-15)20-2/h3-9,11,16H,10H2,1-2H3,(H,18,19)
InChIKeyLFPNCWJIVDGFNQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.08
Rot. Bonds6

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

2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid (PubChem CID 133148719) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
PubChem CID133148719
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
SMILESCOc1cccc(OC(Cc2cccc(C)c2)C(=O)O)c1
InChIInChI=1S/C17H18O4/c1-12-5-3-6-13(9-12)10-16(17(18)19)21-15-8-4-7-14(11-15)20-2/h3-9,11,16H,10H2,1-2H3,(H,18,19)
InChIKeyLFPNCWJIVDGFNQ-UHFFFAOYSA-N
XLogP3.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542546
(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542673
(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100525262
(2S)-3-(3-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100525101
2-(3-methoxyphenoxy)-3-(3-nitrophenyl)propanoic acid
CID 133241275
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid
CID 100525071
3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133241237
(2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541174
(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100540560
(2S)-3-(4-iodophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100535647

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid?
The IUPAC name of 2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid (CID 133148719) is 2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid?
The canonical SMILES for 2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid is COc1cccc(OC(Cc2cccc(C)c2)C(=O)O)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid?
The InChIKey is LFPNCWJIVDGFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12-5-3-6-13(9-12)10-16(17(18)19)21-15-8-4-7-14(11-15)20-2/h3-9,11,16H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid?
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 133148719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).