3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid

C23H24O3 — CID 112720942

IUPAC3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid
SMILESCC(C)COc1ccc(CC(C(=O)O)c2cccc3ccccc23)cc1
InChIInChI=1S/C23H24O3/c1-16(2)15-26-19-12-10-17(11-13-19)14-22(23(24)25)21-9-5-7-18-6-3-4-8-20(18)21/h3-13,16,22H,14-15H2,1-2H3,(H,24,25)
InChIKeyOLDKRRBYNPRAHY-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.29
Rot. Bonds7

About 3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid

3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid (PubChem CID 112720942) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid
PubChem CID112720942
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid
SMILESCC(C)COc1ccc(CC(C(=O)O)c2cccc3ccccc23)cc1
InChIInChI=1S/C23H24O3/c1-16(2)15-26-19-12-10-17(11-13-19)14-22(23(24)25)21-9-5-7-18-6-3-4-8-20(18)21/h3-13,16,22H,14-15H2,1-2H3,(H,24,25)
InChIKeyOLDKRRBYNPRAHY-UHFFFAOYSA-N
XLogP5.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid
CID 82160480
(2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid
CID 94734384
3-(3-ethoxy-4-hydroxyphenyl)-2-naphthalen-1-ylpropanoic acid
CID 83954183
naphthalen-1-yl 4-(2-methylpropoxy)benzoate
CID 23011607
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957
3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid
CID 83955219
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
CID 79439722
2-naphthalen-1-yl-3-phenylpropanamide
CID 141457606
3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid
CID 82140892
2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 83953745

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid?
The IUPAC name of 3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid (CID 112720942) is 3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for 3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid?
The canonical SMILES for 3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid is CC(C)COc1ccc(CC(C(=O)O)c2cccc3ccccc23)cc1.
What is the InChIKey of 3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid?
The InChIKey is OLDKRRBYNPRAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-16(2)15-26-19-12-10-17(11-13-19)14-22(23(24)25)21-9-5-7-18-6-3-4-8-20(18)21/h3-13,16,22H,14-15H2,1-2H3,(H,24,25).
What are the key properties of 3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid?
3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid has a molecular weight of 348.44 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 112720942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).