3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid

C18H19FO4 — CID 83956145

IUPAC3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
SMILESCOc1ccc(OC)c(CC(C(=O)O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H19FO4/c1-11-4-5-12(10-16(11)19)15(18(20)21)9-13-8-14(22-2)6-7-17(13)23-3/h4-8,10,15H,9H2,1-3H3,(H,20,21)
InChIKeyLQGNTTWGHISQJR-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.56
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid

3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid (PubChem CID 83956145) has the molecular formula C18H19FO4 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
PubChem CID83956145
Molecular FormulaC18H19FO4
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
SMILESCOc1ccc(OC)c(CC(C(=O)O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H19FO4/c1-11-4-5-12(10-16(11)19)15(18(20)21)9-13-8-14(22-2)6-7-17(13)23-3/h4-8,10,15H,9H2,1-3H3,(H,20,21)
InChIKeyLQGNTTWGHISQJR-UHFFFAOYSA-N
XLogP3.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid
CID 112721448
2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid
CID 83950889
4-[1-carboxy-2-(2,5-dimethoxyphenyl)ethyl]benzoic acid
CID 82141846
3-(2,3-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83951379
3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82141853
3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid
CID 83956153
2-(3-fluoro-4-methylphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid
CID 112720099
2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 83953745
3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717
3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141810
2-(3-fluoro-4-methylphenyl)-3-(2-pentoxyphenyl)propanoic acid
CID 83954603
3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
CID 84752972

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid (CID 83956145) is 3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid is COc1ccc(OC)c(CC(C(=O)O)c2ccc(C)c(F)c2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid?
The InChIKey is LQGNTTWGHISQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO4/c1-11-4-5-12(10-16(11)19)15(18(20)21)9-13-8-14(22-2)6-7-17(13)23-3/h4-8,10,15H,9H2,1-3H3,(H,20,21).
What are the key properties of 3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid?
3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid has a molecular weight of 318.34 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid is sourced from PubChem (CID 83956145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).