4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane

C42H52O7 — CID 159331310

About 4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane

4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane (PubChem CID 159331310) has the molecular formula C42H52O7 and a molecular weight of 668.87 g/mol. Its IUPAC name is 4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane.

Molecular Properties

• Compound Name: 4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
• PubChem CID: 159331310
• Molecular Formula: C42H52O7
• Molecular Weight: 668.87 g/mol
• Exact Mass: 668.37
• IUPAC Name: 4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
• SMILES: Cc1cc(C(C)(C)c2ccc(OCC3CO3)c(C)c2)ccc1OCC1CO1.Cc1cc(C(C)(CCCO)c2ccc(O)c(C)c2)ccc1O
• InChI: InChI=1S/C23H28O4.C19H24O3/c1-15-9-17(5-7-21(15)26-13-19-11-24-19)23(3,4)18-6-8-22(16(2)10-18)27-14-20-12-25-20;1-13-11-15(5-7-17(13)21)19(3,9-4-10-20)16-6-8-18(22)14(2)12-16/h5-10,19-20H,11-14H2,1-4H3;5-8,11-12,20-22H,4,9-10H2,1-3H3
• InChIKey: LEZSLXAQQMZAGX-UHFFFAOYSA-N
• XLogP: 7.98
• TPSA: 104.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.87
LogP ≤ 5	7.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?

The IUPAC name of 4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane (CID 159331310) is 4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane.

What is the SMILES notation for 4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?

The canonical SMILES for 4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane is Cc1cc(C(C)(C)c2ccc(OCC3CO3)c(C)c2)ccc1OCC1CO1.Cc1cc(C(C)(CCCO)c2ccc(O)c(C)c2)ccc1O.

What is the InChIKey of 4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?

The InChIKey is LEZSLXAQQMZAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4.C19H24O3/c1-15-9-17(5-7-21(15)26-13-19-11-24-19)23(3,4)18-6-8-22(16(2)10-18)27-14-20-12-25-20;1-13-11-15(5-7-17(13)21)19(3,9-4-10-20)16-6-8-18(22)14(2)12-16/h5-10,19-20H,11-14H2,1-4H3;5-8,11-12,20-22H,4,9-10H2,1-3H3.

What are the key properties of 4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?

4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane has a molecular weight of 668.87 g/mol, XLogP of 7.98, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-hydroxy-2-(4-hydroxy-3-methylphenyl)pentan-2-yl]-2-methylphenol;2-[[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 159331310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).