3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid

C19H22O3 — CID 82140730

IUPAC3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H22O3/c1-12-9-13(2)18(14(3)10-12)17(19(20)21)11-15-5-7-16(22-4)8-6-15/h5-10,17H,11H2,1-4H3,(H,20,21)
InChIKeyCHQCPFFMFPGDGZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.03
Rot. Bonds5

About 3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid

3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid (PubChem CID 82140730) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
PubChem CID82140730
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H22O3/c1-12-9-13(2)18(14(3)10-12)17(19(20)21)11-15-5-7-16(22-4)8-6-15/h5-10,17H,11H2,1-4H3,(H,20,21)
InChIKeyCHQCPFFMFPGDGZ-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid
CID 83950889
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20986100
1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106881014
3-(4-methoxyphenyl)-2-(6-methylpyrimidin-4-yl)propanoic acid
CID 104573075
2-[(4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 69402022
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
(2S)-2-(4-methoxyphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525673
2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
CID 79439722
2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 83951802

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid (CID 82140730) is 3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid is COc1ccc(CC(C(=O)O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid?
The InChIKey is CHQCPFFMFPGDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-12-9-13(2)18(14(3)10-12)17(19(20)21)11-15-5-7-16(22-4)8-6-15/h5-10,17H,11H2,1-4H3,(H,20,21).
What are the key properties of 3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid?
3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid has a molecular weight of 298.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid is sourced from PubChem (CID 82140730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).