2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid

C18H19FO3 — CID 83950996

IUPAC2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2ccccc2F)C(=O)O)c(C)c1
InChIInChI=1S/C18H19FO3/c1-3-22-14-8-9-15(12(2)10-14)16(18(20)21)11-13-6-4-5-7-17(13)19/h4-10,16H,3,11H2,1-2H3,(H,20,21)
InChIKeyJJUJMNANCGCMJC-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.94
Rot. Bonds6

About 2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid

2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid (PubChem CID 83950996) has the molecular formula C18H19FO3 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid
PubChem CID83950996
Molecular FormulaC18H19FO3
Molecular Weight302.35 g/mol
Exact Mass302.13
IUPAC Name2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2ccccc2F)C(=O)O)c(C)c1
InChIInChI=1S/C18H19FO3/c1-3-22-14-8-9-15(12(2)10-14)16(18(20)21)11-13-6-4-5-7-17(13)19/h4-10,16H,3,11H2,1-2H3,(H,20,21)
InChIKeyJJUJMNANCGCMJC-UHFFFAOYSA-N
XLogP3.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid
CID 83955882
2-(4-ethoxy-3-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950993
2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid
CID 83956080
3-(2,4-diethoxyphenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952987
2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 82139843
2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 83955405
2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid
CID 104573247
2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid
CID 79439725
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 83952976
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952778
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of 2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid (CID 83950996) is 2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid is CCOc1ccc(C(Cc2ccccc2F)C(=O)O)c(C)c1.
What is the InChIKey of 2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid?
The InChIKey is JJUJMNANCGCMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO3/c1-3-22-14-8-9-15(12(2)10-14)16(18(20)21)11-13-6-4-5-7-17(13)19/h4-10,16H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid?
2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid has a molecular weight of 302.35 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 83950996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).