2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol

C30H38O2 — CID 72997130

About 2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol

2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol (PubChem CID 72997130) has the molecular formula C30H38O2 and a molecular weight of 430.63 g/mol. Its IUPAC name is 2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol.

Molecular Properties

• Compound Name: 2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol
• PubChem CID: 72997130
• Molecular Formula: C30H38O2
• Molecular Weight: 430.63 g/mol
• Exact Mass: 430.29
• IUPAC Name: 2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol
• SMILES: Cc1cc(O)c(C2(C)CCC3CC32C)cc1-c1cc(C2(C)CCC3CC32C)c(O)cc1C
• InChI: InChI=1S/C30H38O2/c1-17-11-25(31)23(27(3)9-7-19-15-29(19,27)5)13-21(17)22-14-24(26(32)12-18(22)2)28(4)10-8-20-16-30(20,28)6/h11-14,19-20,31-32H,7-10,15-16H2,1-6H3
• InChIKey: XNIZFYLMUVNEOT-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.63
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol?

The IUPAC name of 2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol (CID 72997130) is 2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol.

What is the SMILES notation for 2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol?

The canonical SMILES for 2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol is Cc1cc(O)c(C2(C)CCC3CC32C)cc1-c1cc(C2(C)CCC3CC32C)c(O)cc1C.

What is the InChIKey of 2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol?

The InChIKey is XNIZFYLMUVNEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O2/c1-17-11-25(31)23(27(3)9-7-19-15-29(19,27)5)13-21(17)22-14-24(26(32)12-18(22)2)28(4)10-8-20-16-30(20,28)6/h11-14,19-20,31-32H,7-10,15-16H2,1-6H3.

What are the key properties of 2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol?

2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol has a molecular weight of 430.63 g/mol, XLogP of 7.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-[5-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-4-hydroxy-2-methylphenyl]-5-methylphenol is sourced from PubChem (CID 72997130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).