2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid

C20H23FO3 — CID 83953745

IUPAC2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid
SMILESCc1ccc(C(Cc2ccc(OCC(C)C)cc2)C(=O)O)cc1F
InChIInChI=1S/C20H23FO3/c1-13(2)12-24-17-8-5-15(6-9-17)10-18(20(22)23)16-7-4-14(3)19(21)11-16/h4-9,11,13,18H,10,12H2,1-3H3,(H,22,23)
InChIKeyLQVMZCFKYRNWKK-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.58
Rot. Bonds7

About 2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid

2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid (PubChem CID 83953745) has the molecular formula C20H23FO3 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid
PubChem CID83953745
Molecular FormulaC20H23FO3
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid
SMILESCc1ccc(C(Cc2ccc(OCC(C)C)cc2)C(=O)O)cc1F
InChIInChI=1S/C20H23FO3/c1-13(2)12-24-17-8-5-15(6-9-17)10-18(20(22)23)16-7-4-14(3)19(21)11-16/h4-9,11,13,18H,10,12H2,1-3H3,(H,22,23)
InChIKeyLQVMZCFKYRNWKK-UHFFFAOYSA-N
XLogP4.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid
CID 83950889
3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid
CID 82160480
3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83956145
2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107171030
2-(4-ethylphenyl)-3-[3-(2-methylpropoxy)phenyl]propanoic acid
CID 83953697
3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid
CID 112720942
3-(4-ethoxyphenyl)-2-(3-methyl-4-propoxyphenyl)propanoic acid
CID 83950412
2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 83951802
3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951930
3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82140730
2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107170360
2-(3-fluoro-4-methylphenyl)-3-(2-pentoxyphenyl)propanoic acid
CID 83954603

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid (CID 83953745) is 2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid is Cc1ccc(C(Cc2ccc(OCC(C)C)cc2)C(=O)O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid?
The InChIKey is LQVMZCFKYRNWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO3/c1-13(2)12-24-17-8-5-15(6-9-17)10-18(20(22)23)16-7-4-14(3)19(21)11-16/h4-9,11,13,18H,10,12H2,1-3H3,(H,22,23).
What are the key properties of 2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid?
2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid has a molecular weight of 330.40 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid is sourced from PubChem (CID 83953745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).