4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol

C12H18O2 — CID 130612651

IUPAC4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol
SMILESCc1cc(C[C@H](C)CO)c(C)cc1O
InChIInChI=1S/C12H18O2/c1-8(7-13)4-11-5-10(3)12(14)6-9(11)2/h5-6,8,13-14H,4,7H2,1-3H3/t8-/m0/s1
InChIKeySUFVUYOYVQTPAC-QMMMGPOBSA-N
MW194.27 g/mol
LogP2.18
Rot. Bonds3

About 4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol

4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol (PubChem CID 130612651) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol
PubChem CID130612651
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol
SMILESCc1cc(C[C@H](C)CO)c(C)cc1O
InChIInChI=1S/C12H18O2/c1-8(7-13)4-11-5-10(3)12(14)6-9(11)2/h5-6,8,13-14H,4,7H2,1-3H3/t8-/m0/s1
InChIKeySUFVUYOYVQTPAC-QMMMGPOBSA-N
XLogP2.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol?
The IUPAC name of 4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol (CID 130612651) is 4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol.
What is the SMILES notation for 4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol?
The canonical SMILES for 4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol is Cc1cc(C[C@H](C)CO)c(C)cc1O.
What is the InChIKey of 4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol?
The InChIKey is SUFVUYOYVQTPAC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(7-13)4-11-5-10(3)12(14)6-9(11)2/h5-6,8,13-14H,4,7H2,1-3H3/t8-/m0/s1.
What are the key properties of 4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol?
4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol has a molecular weight of 194.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol is sourced from PubChem (CID 130612651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).