2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol

C17H28O — CID 143656034

IUPAC2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol
SMILESCc1c(O)cccc1C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H28O/c1-12-13(9-8-10-15(12)18)14(17(5,6)7)11-16(2,3)4/h8-10,14,18H,11H2,1-7H3
InChIKeyGMKYFARPGHGPPQ-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.27
Rot. Bonds2

About 2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol

2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol (PubChem CID 143656034) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol.

Molecular Properties

Compound Name2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol
PubChem CID143656034
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol
SMILESCc1c(O)cccc1C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H28O/c1-12-13(9-8-10-15(12)18)14(17(5,6)7)11-16(2,3)4/h8-10,14,18H,11H2,1-7H3
InChIKeyGMKYFARPGHGPPQ-UHFFFAOYSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol?
The IUPAC name of 2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol (CID 143656034) is 2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol.
What is the SMILES notation for 2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol?
The canonical SMILES for 2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol is Cc1c(O)cccc1C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol?
The InChIKey is GMKYFARPGHGPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-12-13(9-8-10-15(12)18)14(17(5,6)7)11-16(2,3)4/h8-10,14,18H,11H2,1-7H3.
What are the key properties of 2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol?
2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol has a molecular weight of 248.41 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol is sourced from PubChem (CID 143656034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).