2-(3-methoxyphenyl)-3-phenoxypropanoic acid

C16H16O4 — CID 117243370

IUPAC2-(3-methoxyphenyl)-3-phenoxypropanoic acid
SMILESCOc1cccc(C(COc2ccccc2)C(=O)O)c1
InChIInChI=1S/C16H16O4/c1-19-14-9-5-6-12(10-14)15(16(17)18)11-20-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,17,18)
InChIKeyIQTSVUYFLUPKAW-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.94
Rot. Bonds6

About 2-(3-methoxyphenyl)-3-phenoxypropanoic acid

2-(3-methoxyphenyl)-3-phenoxypropanoic acid (PubChem CID 117243370) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-phenoxypropanoic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-phenoxypropanoic acid
PubChem CID117243370
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-(3-methoxyphenyl)-3-phenoxypropanoic acid
SMILESCOc1cccc(C(COc2ccccc2)C(=O)O)c1
InChIInChI=1S/C16H16O4/c1-19-14-9-5-6-12(10-14)15(16(17)18)11-20-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,17,18)
InChIKeyIQTSVUYFLUPKAW-UHFFFAOYSA-N
XLogP2.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243386
2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
CID 117243423
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245230
4-amino-2-(3-methoxyphenyl)-4-oxobutanoic acid
CID 141007256
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
CID 124706268
3-(2-bromo-4-methoxyphenoxy)-2-phenylpropanoic acid
CID 104708587
3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid
CID 117244358
5-amino-2-(3-methoxyphenyl)pentanoic acid
CID 112511837
2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82141396

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-phenoxypropanoic acid?
The IUPAC name of 2-(3-methoxyphenyl)-3-phenoxypropanoic acid (CID 117243370) is 2-(3-methoxyphenyl)-3-phenoxypropanoic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-phenoxypropanoic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-3-phenoxypropanoic acid is COc1cccc(C(COc2ccccc2)C(=O)O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-phenoxypropanoic acid?
The InChIKey is IQTSVUYFLUPKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-14-9-5-6-12(10-14)15(16(17)18)11-20-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,17,18).
What are the key properties of 2-(3-methoxyphenyl)-3-phenoxypropanoic acid?
2-(3-methoxyphenyl)-3-phenoxypropanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-phenoxypropanoic acid is sourced from PubChem (CID 117243370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).