3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid

C20H24O4 — CID 10735047

IUPAC3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid
SMILESCOc1ccccc1CC(C)(Oc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C20H24O4/c1-14(2)15-9-11-17(12-10-15)24-20(3,19(21)22)13-16-7-5-6-8-18(16)23-4/h5-12,14H,13H2,1-4H3,(H,21,22)
InChIKeyYWFAOACTTUHGFX-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.28
Rot. Bonds7

About 3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid

3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid (PubChem CID 10735047) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid
PubChem CID10735047
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid
SMILESCOc1ccccc1CC(C)(Oc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C20H24O4/c1-14(2)15-9-11-17(12-10-15)24-20(3,19(21)22)13-16-7-5-6-8-18(16)23-4/h5-12,14H,13H2,1-4H3,(H,21,22)
InChIKeyYWFAOACTTUHGFX-UHFFFAOYSA-N
XLogP4.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid?
The IUPAC name of 3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid (CID 10735047) is 3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid?
The canonical SMILES for 3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid is COc1ccccc1CC(C)(Oc1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of 3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid?
The InChIKey is YWFAOACTTUHGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-14(2)15-9-11-17(12-10-15)24-20(3,19(21)22)13-16-7-5-6-8-18(16)23-4/h5-12,14H,13H2,1-4H3,(H,21,22).
What are the key properties of 3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid?
3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid is sourced from PubChem (CID 10735047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).