4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol

C12H18O3 — CID 117300448

IUPAC4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
SMILESCOc1cc(O)cc(C)c1C(C)(C)CO
InChIInChI=1S/C12H18O3/c1-8-5-9(14)6-10(15-4)11(8)12(2,3)7-13/h5-6,13-14H,7H2,1-4H3
InChIKeyXZNXKELSLVQMSM-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.98
Rot. Bonds3

About 4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol

4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol (PubChem CID 117300448) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
PubChem CID117300448
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
SMILESCOc1cc(O)cc(C)c1C(C)(C)CO
InChIInChI=1S/C12H18O3/c1-8-5-9(14)6-10(15-4)11(8)12(2,3)7-13/h5-6,13-14H,7H2,1-4H3
InChIKeyXZNXKELSLVQMSM-UHFFFAOYSA-N
XLogP1.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
CID 117467037
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol
CID 117467029
[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol
CID 115229682
2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117400665
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117400699
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117463241
2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol
CID 117362414
2-(3-fluoro-6-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303163
3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid
CID 117384014
2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303162
2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117466981

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol?
The IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol (CID 117300448) is 4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol?
The canonical SMILES for 4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol is COc1cc(O)cc(C)c1C(C)(C)CO.
What is the InChIKey of 4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol?
The InChIKey is XZNXKELSLVQMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8-5-9(14)6-10(15-4)11(8)12(2,3)7-13/h5-6,13-14H,7H2,1-4H3.
What are the key properties of 4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol?
4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol has a molecular weight of 210.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol is sourced from PubChem (CID 117300448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).