3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid

C17H18O4 — CID 2752415

IUPAC3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
SMILESCOc1cc(CCC(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C17H18O4/c1-20-16-11-13(8-10-17(18)19)7-9-15(16)21-12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,18,19)
InChIKeySJEFIQLTGBLFBB-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.29
Rot. Bonds7

About 3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid

3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid (PubChem CID 2752415) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
PubChem CID2752415
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
SMILESCOc1cc(CCC(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C17H18O4/c1-20-16-11-13(8-10-17(18)19)7-9-15(16)21-12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,18,19)
InChIKeySJEFIQLTGBLFBB-UHFFFAOYSA-N
XLogP3.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
3-[4-[[3-[[4-(2-carboxyethyl)-2-methoxyphenoxy]methyl]-5-(hydroxymethyl)-2,4,6-trimethylphenyl]methoxy]-3-methoxyphenyl]propanoic acid
CID 102499941
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide
CID 46884554
1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 4049023
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823
4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one
CID 82184682
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9149869

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of 3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid (CID 2752415) is 3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid is COc1cc(CCC(=O)O)ccc1OCc1ccccc1.
What is the InChIKey of 3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is SJEFIQLTGBLFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-20-16-11-13(8-10-17(18)19)7-9-15(16)21-12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,18,19).
What are the key properties of 3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid?
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 2752415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).