4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol

C14H22O2 — CID 54243482

IUPAC4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol
SMILESCc1c(C)c([C@@H](O)C(C)C)c(C)c(C)c1O
InChIInChI=1S/C14H22O2/c1-7(2)13(15)12-8(3)10(5)14(16)11(6)9(12)4/h7,13,15-16H,1-6H3/t13-/m0/s1
InChIKeyQRQFDHDOBOWEFS-ZDUSSCGKSA-N
MW222.33 g/mol
LogP3.32
Rot. Bonds2

About 4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol

4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol (PubChem CID 54243482) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol.

Molecular Properties

Compound Name4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol
PubChem CID54243482
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol
SMILESCc1c(C)c([C@@H](O)C(C)C)c(C)c(C)c1O
InChIInChI=1S/C14H22O2/c1-7(2)13(15)12-8(3)10(5)14(16)11(6)9(12)4/h7,13,15-16H,1-6H3/t13-/m0/s1
InChIKeyQRQFDHDOBOWEFS-ZDUSSCGKSA-N
XLogP3.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol?
The IUPAC name of 4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol (CID 54243482) is 4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol.
What is the SMILES notation for 4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol?
The canonical SMILES for 4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol is Cc1c(C)c([C@@H](O)C(C)C)c(C)c(C)c1O.
What is the InChIKey of 4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol?
The InChIKey is QRQFDHDOBOWEFS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22O2/c1-7(2)13(15)12-8(3)10(5)14(16)11(6)9(12)4/h7,13,15-16H,1-6H3/t13-/m0/s1.
What are the key properties of 4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol?
4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol has a molecular weight of 222.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-hydroxy-2-methylpropyl]-2,3,5,6-tetramethylphenol is sourced from PubChem (CID 54243482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).