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

C19H22O3 — CID 82141118

IUPAC3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H22O3/c1-12-8-13(2)18(14(3)9-12)17(19(20)21)11-15-6-5-7-16(10-15)22-4/h5-10,17H,11H2,1-4H3,(H,20,21)
InChIKeyWRPJJIYJJYXRKF-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.03
Rot. Bonds5

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

3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid (PubChem CID 82141118) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
PubChem CID82141118
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H22O3/c1-12-8-13(2)18(14(3)9-12)17(19(20)21)11-15-6-5-7-16(10-15)22-4/h5-10,17H,11H2,1-4H3,(H,20,21)
InChIKeyWRPJJIYJJYXRKF-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-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82140730
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 82141109
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 82095275
2-(3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43197699
3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid
CID 104572423
3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid
CID 106550843
2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82141396
2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 83955405
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid?
The IUPAC name of 3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid (CID 82141118) is 3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid is COc1cccc(CC(C(=O)O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid?
The InChIKey is WRPJJIYJJYXRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-12-8-13(2)18(14(3)9-12)17(19(20)21)11-15-6-5-7-16(10-15)22-4/h5-10,17H,11H2,1-4H3,(H,20,21).
What are the key properties of 3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid?
3-(3-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-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid is sourced from PubChem (CID 82141118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).