3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid

C20H24O3 — CID 82095196

IUPAC3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1C(Cc1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C20H24O3/c1-20(2,3)15-11-9-14(10-12-15)13-17(19(21)22)16-7-5-6-8-18(16)23-4/h5-12,17H,13H2,1-4H3,(H,21,22)
InChIKeyGFJSUMAOVPBWOR-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.40
Rot. Bonds5

About 3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid

3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid (PubChem CID 82095196) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid
PubChem CID82095196
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1C(Cc1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C20H24O3/c1-20(2,3)15-11-9-14(10-12-15)13-17(19(21)22)16-7-5-6-8-18(16)23-4/h5-12,17H,13H2,1-4H3,(H,21,22)
InChIKeyGFJSUMAOVPBWOR-UHFFFAOYSA-N
XLogP4.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953446
3-(4-tert-butylphenyl)-2-(5-chloro-2-methoxyphenyl)propanoic acid
CID 112721022
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
3-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83950546
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83955199
2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
CID 79439722
3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83954492
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
4-[2-(4-tert-butylphenyl)-1-carboxyethyl]benzoic acid
CID 82140106
1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
CID 135032816
3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid
CID 165353920

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid (CID 82095196) is 3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid is COc1ccccc1C(Cc1ccc(C(C)(C)C)cc1)C(=O)O.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid?
The InChIKey is GFJSUMAOVPBWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-20(2,3)15-11-9-14(10-12-15)13-17(19(21)22)16-7-5-6-8-18(16)23-4/h5-12,17H,13H2,1-4H3,(H,21,22).
What are the key properties of 3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid?
3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid has a molecular weight of 312.41 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 82095196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).