4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol

C30H38O2 — CID 144899041

About 4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol

4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol (PubChem CID 144899041) has the molecular formula C30H38O2 and a molecular weight of 430.63 g/mol. Its IUPAC name is 4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol.

Molecular Properties

• Compound Name: 4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
• PubChem CID: 144899041
• Molecular Formula: C30H38O2
• Molecular Weight: 430.63 g/mol
• Exact Mass: 430.29
• IUPAC Name: 4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
• SMILES: Cc1cc(C(C)(C)c2cc(C(C)(C)C)cc(C(C)(C)c3ccc(O)c(C)c3)c2)ccc1O
• InChI: InChI=1S/C30H38O2/c1-19-14-21(10-12-26(19)31)29(6,7)24-16-23(28(3,4)5)17-25(18-24)30(8,9)22-11-13-27(32)20(2)15-22/h10-18,31-32H,1-9H3
• InChIKey: SMBMDRAEWAOVHB-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.63
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol?

The IUPAC name of 4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol (CID 144899041) is 4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol.

What is the SMILES notation for 4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol?

The canonical SMILES for 4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol is Cc1cc(C(C)(C)c2cc(C(C)(C)C)cc(C(C)(C)c3ccc(O)c(C)c3)c2)ccc1O.

What is the InChIKey of 4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol?

The InChIKey is SMBMDRAEWAOVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O2/c1-19-14-21(10-12-26(19)31)29(6,7)24-16-23(28(3,4)5)17-25(18-24)30(8,9)22-11-13-27(32)20(2)15-22/h10-18,31-32H,1-9H3.

What are the key properties of 4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol?

4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol has a molecular weight of 430.63 g/mol, XLogP of 7.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol is sourced from PubChem (CID 144899041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).