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

C19H22O3 — CID 82141396

IUPAC2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid
SMILESCOc1cccc(C(Cc2c(C)cc(C)cc2C)C(=O)O)c1
InChIInChI=1S/C19H22O3/c1-12-8-13(2)17(14(3)9-12)11-18(19(20)21)15-6-5-7-16(10-15)22-4/h5-10,18H,11H2,1-4H3,(H,20,21)
InChIKeyJQRHBJUMODMJHH-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.03
Rot. Bonds5

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

2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid (PubChem CID 82141396) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid
PubChem CID82141396
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid
SMILESCOc1cccc(C(Cc2c(C)cc(C)cc2C)C(=O)O)c1
InChIInChI=1S/C19H22O3/c1-12-8-13(2)17(14(3)9-12)11-18(19(20)21)15-6-5-7-16(10-15)22-4/h5-10,18H,11H2,1-4H3,(H,20,21)
InChIKeyJQRHBJUMODMJHH-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

(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118
5-amino-2-(3-methoxyphenyl)pentanoic acid
CID 112511837
2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 82095275
4-amino-2-(3-methoxyphenyl)-4-oxobutanoic acid
CID 141007256
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
2-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82095274
(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
CID 124706268
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
(2S)-4-[di(propan-2-yl)amino]-2-(3-methoxyphenyl)butanoic acid
CID 27282104
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid?
The IUPAC name of 2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid (CID 82141396) is 2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid is COc1cccc(C(Cc2c(C)cc(C)cc2C)C(=O)O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid?
The InChIKey is JQRHBJUMODMJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-12-8-13(2)17(14(3)9-12)11-18(19(20)21)15-6-5-7-16(10-15)22-4/h5-10,18H,11H2,1-4H3,(H,20,21).
What are the key properties of 2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid?
2-(3-methoxyphenyl)-3-(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 2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid is sourced from PubChem (CID 82141396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).