2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol

C23H32O2 — CID 166753267

IUPAC2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol
SMILESCc1cccc(C(C)(C)CCC(C)c2cccc(C(C)C)c2O)c1O
InChIInChI=1S/C23H32O2/c1-15(2)18-10-8-11-19(22(18)25)16(3)13-14-23(5,6)20-12-7-9-17(4)21(20)24/h7-12,15-16,24-25H,13-14H2,1-6H3
InChIKeyBBKSUEGURLJIIU-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.39
Rot. Bonds6

About 2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol

2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol (PubChem CID 166753267) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol.

Molecular Properties

Compound Name2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol
PubChem CID166753267
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol
SMILESCc1cccc(C(C)(C)CCC(C)c2cccc(C(C)C)c2O)c1O
InChIInChI=1S/C23H32O2/c1-15(2)18-10-8-11-19(22(18)25)16(3)13-14-23(5,6)20-12-7-9-17(4)21(20)24/h7-12,15-16,24-25H,13-14H2,1-6H3
InChIKeyBBKSUEGURLJIIU-UHFFFAOYSA-N
XLogP6.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol?
The IUPAC name of 2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol (CID 166753267) is 2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol.
What is the SMILES notation for 2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol?
The canonical SMILES for 2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol is Cc1cccc(C(C)(C)CCC(C)c2cccc(C(C)C)c2O)c1O.
What is the InChIKey of 2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol?
The InChIKey is BBKSUEGURLJIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-15(2)18-10-8-11-19(22(18)25)16(3)13-14-23(5,6)20-12-7-9-17(4)21(20)24/h7-12,15-16,24-25H,13-14H2,1-6H3.
What are the key properties of 2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol?
2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol has a molecular weight of 340.51 g/mol, XLogP of 6.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxy-3-propan-2-ylphenyl)-2-methylhexan-2-yl]-6-methylphenol is sourced from PubChem (CID 166753267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).