propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate

C23H30O4 — CID 122498822

About propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate

propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate (PubChem CID 122498822) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate.

Molecular Properties

• Compound Name: propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate
• PubChem CID: 122498822
• Molecular Formula: C23H30O4
• Molecular Weight: 370.49 g/mol
• Exact Mass: 370.21
• IUPAC Name: propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate
• SMILES: CCCOC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1
• InChI: InChI=1S/C23H30O4/c1-6-9-26-23(25)14-27-19-10-16(4)21(17(5)11-19)13-18-7-8-22(24)20(12-18)15(2)3/h7-8,10-12,15,24H,6,9,13-14H2,1-5H3
• InChIKey: RCDNJEXDIQVSMD-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 55.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.49
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate?

The IUPAC name of propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate (CID 122498822) is propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate.

What is the SMILES notation for propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate?

The canonical SMILES for propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate is CCCOC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1.

What is the InChIKey of propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate?

The InChIKey is RCDNJEXDIQVSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-6-9-26-23(25)14-27-19-10-16(4)21(17(5)11-19)13-18-7-8-22(24)20(12-18)15(2)3/h7-8,10-12,15,24H,6,9,13-14H2,1-5H3.

What are the key properties of propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate?

propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate has a molecular weight of 370.49 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate is sourced from PubChem (CID 122498822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).