2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid

C20H23FO4 — CID 112720099

IUPAC2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid
SMILESCCCOc1c(CC(C(=O)O)c2ccc(C)c(F)c2)cccc1OC
InChIInChI=1S/C20H23FO4/c1-4-10-25-19-15(6-5-7-18(19)24-3)11-16(20(22)23)14-9-8-13(2)17(21)12-14/h5-9,12,16H,4,10-11H2,1-3H3,(H,22,23)
InChIKeyXGLXJKZQEHVEBC-UHFFFAOYSA-N
MW346.40 g/mol
LogP4.34
Rot. Bonds8

About 2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid

2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid (PubChem CID 112720099) has the molecular formula C20H23FO4 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid
PubChem CID112720099
Molecular FormulaC20H23FO4
Molecular Weight346.40 g/mol
Exact Mass346.16
IUPAC Name2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid
SMILESCCCOc1c(CC(C(=O)O)c2ccc(C)c(F)c2)cccc1OC
InChIInChI=1S/C20H23FO4/c1-4-10-25-19-15(6-5-7-18(19)24-3)11-16(20(22)23)14-9-8-13(2)17(21)12-14/h5-9,12,16H,4,10-11H2,1-3H3,(H,22,23)
InChIKeyXGLXJKZQEHVEBC-UHFFFAOYSA-N
XLogP4.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83951379
2-(3,4-dimethoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid
CID 20985305
2-(3-fluoro-4-methylphenyl)-3-(2-pentoxyphenyl)propanoic acid
CID 83954603
3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83956145
3-(2-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 82160468
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
3-(2-ethoxy-3-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951759
2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid
CID 83950889
2-(4-ethoxy-3-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950993
2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 82160886
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid
CID 83951389
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
CID 105372523

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid (CID 112720099) is 2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid is CCCOc1c(CC(C(=O)O)c2ccc(C)c(F)c2)cccc1OC.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid?
The InChIKey is XGLXJKZQEHVEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO4/c1-4-10-25-19-15(6-5-7-18(19)24-3)11-16(20(22)23)14-9-8-13(2)17(21)12-14/h5-9,12,16H,4,10-11H2,1-3H3,(H,22,23).
What are the key properties of 2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid?
2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid has a molecular weight of 346.40 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid is sourced from PubChem (CID 112720099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).