3-(2-hydroxy-2-methylpropyl)-2-methylphenol

C11H16O2 — CID 154515980

IUPAC3-(2-hydroxy-2-methylpropyl)-2-methylphenol
SMILESCc1c(O)cccc1CC(C)(C)O
InChIInChI=1S/C11H16O2/c1-8-9(7-11(2,3)13)5-4-6-10(8)12/h4-6,12-13H,7H2,1-3H3
InChIKeyDHQKONFWHBXWCW-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.01
Rot. Bonds2

About 3-(2-hydroxy-2-methylpropyl)-2-methylphenol

3-(2-hydroxy-2-methylpropyl)-2-methylphenol (PubChem CID 154515980) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpropyl)-2-methylphenol.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpropyl)-2-methylphenol
PubChem CID154515980
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-(2-hydroxy-2-methylpropyl)-2-methylphenol
SMILESCc1c(O)cccc1CC(C)(C)O
InChIInChI=1S/C11H16O2/c1-8-9(7-11(2,3)13)5-4-6-10(8)12/h4-6,12-13H,7H2,1-3H3
InChIKeyDHQKONFWHBXWCW-UHFFFAOYSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-3-prop-2-ynylphenol
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2-(2,2-dimethylpropyl)-6-methylphenol
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3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol
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3-[2-[amino(methyl)amino]ethyl]-2-methylphenol
CID 137451033
2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol
CID 117194759
2-methyl-1-(1-methylindol-7-yl)propan-2-ol
CID 115115003
1-(2-ethoxyphenyl)-2-methylpropan-2-ol
CID 91658115
bis(2,3-dimethylphenol);zirconium(2+);dichloride
CID 174478108
2-methyl-3-(2,2,5,5-tetramethylhexan-3-yl)phenol
CID 143656034

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylpropyl)-2-methylphenol?
The IUPAC name of 3-(2-hydroxy-2-methylpropyl)-2-methylphenol (CID 154515980) is 3-(2-hydroxy-2-methylpropyl)-2-methylphenol.
What is the SMILES notation for 3-(2-hydroxy-2-methylpropyl)-2-methylphenol?
The canonical SMILES for 3-(2-hydroxy-2-methylpropyl)-2-methylphenol is Cc1c(O)cccc1CC(C)(C)O.
What is the InChIKey of 3-(2-hydroxy-2-methylpropyl)-2-methylphenol?
The InChIKey is DHQKONFWHBXWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-9(7-11(2,3)13)5-4-6-10(8)12/h4-6,12-13H,7H2,1-3H3.
What are the key properties of 3-(2-hydroxy-2-methylpropyl)-2-methylphenol?
3-(2-hydroxy-2-methylpropyl)-2-methylphenol has a molecular weight of 180.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylpropyl)-2-methylphenol is sourced from PubChem (CID 154515980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).