3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid

C17H18O4 — CID 175042356

IUPAC3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid
SMILESCOc1cccc(OC)c1C(CC(=O)O)c1ccccc1
InChIInChI=1S/C17H18O4/c1-20-14-9-6-10-15(21-2)17(14)13(11-16(18)19)12-7-4-3-5-8-12/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyFOAXQLZDJUFBKM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.31
Rot. Bonds6

About 3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid

3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid (PubChem CID 175042356) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid
PubChem CID175042356
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid
SMILESCOc1cccc(OC)c1C(CC(=O)O)c1ccccc1
InChIInChI=1S/C17H18O4/c1-20-14-9-6-10-15(21-2)17(14)13(11-16(18)19)12-7-4-3-5-8-12/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyFOAXQLZDJUFBKM-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methoxy-1H-indol-4-yl)-3-phenylpropanoic acid
CID 141173335
(3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid
CID 11359377
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
3-amino-3-(2-methoxy-6-propan-2-yloxyphenyl)propanoic acid
CID 117385813
3-(2-methoxyphenyl)-3-triphenylgermylpropanoic acid
CID 15180324
3-(2-methoxyphenyl)sulfonylbutanoic acid
CID 61297993
2-(2,2-diphenylethyl)-1,3-dimethoxybenzene
CID 57308610
3-methoxy-3-phenylpropanoic acid
CID 13379217
(3S)-3-amino-3-[3-(2,6-dimethoxyphenyl)phenyl]propanoic acid
CID 135366920
3-amino-3-(2-methoxy-6-methylsulfonylphenyl)propanoic acid
CID 117435629
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 743102
3-(2-chloro-6-methoxyphenyl)-3-(diethylamino)propanoic acid
CID 113456606

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid (CID 175042356) is 3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid is COc1cccc(OC)c1C(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid?
The InChIKey is FOAXQLZDJUFBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-20-14-9-6-10-15(21-2)17(14)13(11-16(18)19)12-7-4-3-5-8-12/h3-10,13H,11H2,1-2H3,(H,18,19).
What are the key properties of 3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid?
3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid is sourced from PubChem (CID 175042356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).