2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol

C12H18O3 — CID 117300457

IUPAC2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol
SMILESCOc1cc(C)c(O)c(C(C)(C)CO)c1
InChIInChI=1S/C12H18O3/c1-8-5-9(15-4)6-10(11(8)14)12(2,3)7-13/h5-6,13-14H,7H2,1-4H3
InChIKeyUSZRFTLRTQARFR-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.98
Rot. Bonds3

About 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol

2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol (PubChem CID 117300457) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol
PubChem CID117300457
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol
SMILESCOc1cc(C)c(O)c(C(C)(C)CO)c1
InChIInChI=1S/C12H18O3/c1-8-5-9(15-4)6-10(11(8)14)12(2,3)7-13/h5-6,13-14H,7H2,1-4H3
InChIKeyUSZRFTLRTQARFR-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

2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol
CID 117349268
2,6-ditert-butyl-4-methoxyphenol
CID 10269
2-(2-hydroxy-5-methoxy-3-methylphenyl)-4-methoxy-6-methylphenol
CID 59106217
2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117379562
5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene
CID 20693410
2-chloro-4-methoxy-6-methylphenol
CID 122163446
4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol
CID 18401178
6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
CID 117472979
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82288338
2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol
CID 117306060
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol
CID 117358931
4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol?
The IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol (CID 117300457) is 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol.
What is the SMILES notation for 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol?
The canonical SMILES for 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol is COc1cc(C)c(O)c(C(C)(C)CO)c1.
What is the InChIKey of 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol?
The InChIKey is USZRFTLRTQARFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8-5-9(15-4)6-10(11(8)14)12(2,3)7-13/h5-6,13-14H,7H2,1-4H3.
What are the key properties of 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol?
2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-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 2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol is sourced from PubChem (CID 117300457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).