1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one

C24H30O4 — CID 54522447

About 1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one

1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one (PubChem CID 54522447) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one
• PubChem CID: 54522447
• Molecular Formula: C24H30O4
• Molecular Weight: 382.50 g/mol
• Exact Mass: 382.21
• IUPAC Name: 1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one
• SMILES: Cc1cc(C=CC(=O)c2ccc(O)cc2)c(OC(C)(C)C)cc1OC(C)(C)C
• InChI: InChI=1S/C24H30O4/c1-16-14-18(10-13-20(26)17-8-11-19(25)12-9-17)22(28-24(5,6)7)15-21(16)27-23(2,3)4/h8-15,25H,1-7H3
• InChIKey: YQTUOUVBFKMXGY-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 55.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.50
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one?

The IUPAC name of 1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one (CID 54522447) is 1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one.

What is the SMILES notation for 1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one?

The canonical SMILES for 1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one is Cc1cc(C=CC(=O)c2ccc(O)cc2)c(OC(C)(C)C)cc1OC(C)(C)C.

What is the InChIKey of 1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one?

The InChIKey is YQTUOUVBFKMXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-16-14-18(10-13-20(26)17-8-11-19(25)12-9-17)22(28-24(5,6)7)15-21(16)27-23(2,3)4/h8-15,25H,1-7H3.

What are the key properties of 1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one?

1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one has a molecular weight of 382.50 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one is sourced from PubChem (CID 54522447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).