3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid

C19H21FO4 — CID 23136391

IUPAC3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid
SMILESCCOc1cc(COc2ccc(CCC(=O)O)cc2F)ccc1C
InChIInChI=1S/C19H21FO4/c1-3-23-18-11-15(5-4-13(18)2)12-24-17-8-6-14(10-16(17)20)7-9-19(21)22/h4-6,8,10-11H,3,7,9,12H2,1-2H3,(H,21,22)
InChIKeyQSZMSSPCHHOKLP-UHFFFAOYSA-N
MW332.37 g/mol
LogP4.13
Rot. Bonds8

About 3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid

3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid (PubChem CID 23136391) has the molecular formula C19H21FO4 and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid
PubChem CID23136391
Molecular FormulaC19H21FO4
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid
SMILESCCOc1cc(COc2ccc(CCC(=O)O)cc2F)ccc1C
InChIInChI=1S/C19H21FO4/c1-3-23-18-11-15(5-4-13(18)2)12-24-17-8-6-14(10-16(17)20)7-9-19(21)22/h4-6,8,10-11H,3,7,9,12H2,1-2H3,(H,21,22)
InChIKeyQSZMSSPCHHOKLP-UHFFFAOYSA-N
XLogP4.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9149869
4-[(4-ethoxy-3-fluorophenyl)methylamino]butanoic acid
CID 115218613
5-(2-carboxyethyl)-2-ethoxybenzoic acid
CID 82052360
3-(3-chloro-4-ethoxyphenyl)propanoic acid
CID 82052851
5-[(4-ethoxy-3-fluorophenyl)methylamino]pentanoic acid
CID 115219038
3-[3-fluoro-4-[[3-(3-propan-2-ylphenoxy)phenyl]methoxy]phenyl]propanoic acid
CID 23136440
3-[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 20985123
4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 98033360
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
4-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]butanoic acid
CID 115218662
3-(4-ethoxy-3-formylphenyl)propanoic acid
CID 138986606

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid?
The IUPAC name of 3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid (CID 23136391) is 3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid is CCOc1cc(COc2ccc(CCC(=O)O)cc2F)ccc1C.
What is the InChIKey of 3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid?
The InChIKey is QSZMSSPCHHOKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO4/c1-3-23-18-11-15(5-4-13(18)2)12-24-17-8-6-14(10-16(17)20)7-9-19(21)22/h4-6,8,10-11H,3,7,9,12H2,1-2H3,(H,21,22).
What are the key properties of 3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid?
3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid has a molecular weight of 332.37 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-ethoxy-4-methylphenyl)methoxy]-3-fluorophenyl]propanoic acid is sourced from PubChem (CID 23136391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).