3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid

C19H22O5 — CID 83956153

IUPAC3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid
SMILESCCOc1cccc(C(Cc2cc(OC)ccc2OC)C(=O)O)c1
InChIInChI=1S/C19H22O5/c1-4-24-16-7-5-6-13(10-16)17(19(20)21)12-14-11-15(22-2)8-9-18(14)23-3/h5-11,17H,4,12H2,1-3H3,(H,20,21)
InChIKeyBLXGMOKYFYLPTF-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.51
Rot. Bonds8

About 3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid

3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid (PubChem CID 83956153) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid
PubChem CID83956153
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid
SMILESCCOc1cccc(C(Cc2cc(OC)ccc2OC)C(=O)O)c1
InChIInChI=1S/C19H22O5/c1-4-24-16-7-5-6-13(10-16)17(19(20)21)12-14-11-15(22-2)8-9-18(14)23-3/h5-11,17H,4,12H2,1-3H3,(H,20,21)
InChIKeyBLXGMOKYFYLPTF-UHFFFAOYSA-N
XLogP3.51
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82141853
3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid
CID 112721448
4-[1-carboxy-2-(2,5-dimethoxyphenyl)ethyl]benzoic acid
CID 82141846
2-(3-ethoxyphenyl)-3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 83952378
3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83956145
3-(2,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955617
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
2-(3-ethoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953456
2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951475
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propanoic acid
CID 79431080

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid (CID 83956153) is 3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid is CCOc1cccc(C(Cc2cc(OC)ccc2OC)C(=O)O)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid?
The InChIKey is BLXGMOKYFYLPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-4-24-16-7-5-6-13(10-16)17(19(20)21)12-14-11-15(22-2)8-9-18(14)23-3/h5-11,17H,4,12H2,1-3H3,(H,20,21).
What are the key properties of 3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid?
3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid has a molecular weight of 330.38 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 83956153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).