2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid

C24H30O5 — CID 25074189

IUPAC2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid
SMILESC=C(COc1ccc(C(C)C)cc1)COc1ccc(OC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C24H30O5/c1-16(2)19-7-9-20(10-8-19)27-14-17(3)15-28-21-11-12-22(18(4)13-21)29-24(5,6)23(25)26/h7-13,16H,3,14-15H2,1-2,4-6H3,(H,25,26)
InChIKeyXRWWZVJGLNCVHV-UHFFFAOYSA-N
MW398.50 g/mol
LogP5.37
Rot. Bonds10

About 2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid

2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid (PubChem CID 25074189) has the molecular formula C24H30O5 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid
PubChem CID25074189
Molecular FormulaC24H30O5
Molecular Weight398.50 g/mol
Exact Mass398.21
IUPAC Name2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid
SMILESC=C(COc1ccc(C(C)C)cc1)COc1ccc(OC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C24H30O5/c1-16(2)19-7-9-20(10-8-19)27-14-17(3)15-28-21-11-12-22(18(4)13-21)29-24(5,6)23(25)26/h7-13,16H,3,14-15H2,1-2,4-6H3,(H,25,26)
InChIKeyXRWWZVJGLNCVHV-UHFFFAOYSA-N
XLogP5.37
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid (CID 25074189) is 2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid is C=C(COc1ccc(C(C)C)cc1)COc1ccc(OC(C)(C)C(=O)O)c(C)c1.
What is the InChIKey of 2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid?
The InChIKey is XRWWZVJGLNCVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O5/c1-16(2)19-7-9-20(10-8-19)27-14-17(3)15-28-21-11-12-22(18(4)13-21)29-24(5,6)23(25)26/h7-13,16H,3,14-15H2,1-2,4-6H3,(H,25,26).
What are the key properties of 2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid?
2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid has a molecular weight of 398.50 g/mol, XLogP of 5.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-methyl-4-[2-[(4-propan-2-ylphenoxy)methyl]prop-2-enoxy]phenoxy]propanoic acid is sourced from PubChem (CID 25074189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).