2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol

C16H26O — CID 90297655

IUPAC2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol
SMILESCCC[C@@H](C)c1cc(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H26O/c1-7-8-12(3)13-9-11(2)10-14(15(13)17)16(4,5)6/h9-10,12,17H,7-8H2,1-6H3/t12-/m1/s1
InChIKeyGNEILQJCVGDDDF-GFCCVEGCSA-N
MW234.38 g/mol
LogP4.90
Rot. Bonds3

About 2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol

2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol (PubChem CID 90297655) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol
PubChem CID90297655
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol
SMILESCCC[C@@H](C)c1cc(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H26O/c1-7-8-12(3)13-9-11(2)10-14(15(13)17)16(4,5)6/h9-10,12,17H,7-8H2,1-6H3/t12-/m1/s1
InChIKeyGNEILQJCVGDDDF-GFCCVEGCSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane
CID 142998907
2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol
CID 88729170
2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol
CID 89220492
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
5-(3-tert-butyl-2-ethoxy-5-methylphenyl)hexan-2-amine
CID 83943077
3-(3-tert-butyl-2-ethoxy-5-methylphenyl)butane-1-thiol
CID 83943023
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
2,4-dimethyl-6-triacontan-2-ylphenol
CID 19904487
2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol
CID 139602792

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol?
The IUPAC name of 2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol (CID 90297655) is 2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol?
The canonical SMILES for 2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol is CCC[C@@H](C)c1cc(C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol?
The InChIKey is GNEILQJCVGDDDF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26O/c1-7-8-12(3)13-9-11(2)10-14(15(13)17)16(4,5)6/h9-10,12,17H,7-8H2,1-6H3/t12-/m1/s1.
What are the key properties of 2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol?
2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol has a molecular weight of 234.38 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol is sourced from PubChem (CID 90297655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).