4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol

C11H16O3 — CID 117286306

IUPAC4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol
SMILESCOc1cc(C(C)(C)O)cc(C)c1O
InChIInChI=1S/C11H16O3/c1-7-5-8(11(2,3)13)6-9(14-4)10(7)12/h5-6,12-13H,1-4H3
InChIKeyYRQIGJOYZYQBLU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.94
Rot. Bonds2

About 4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol

4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol (PubChem CID 117286306) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol
PubChem CID117286306
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol
SMILESCOc1cc(C(C)(C)O)cc(C)c1O
InChIInChI=1S/C11H16O3/c1-7-5-8(11(2,3)13)6-9(14-4)10(7)12/h5-6,12-13H,1-4H3
InChIKeyYRQIGJOYZYQBLU-UHFFFAOYSA-N
XLogP1.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 15547804
2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117300512
ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
CID 145081687
2-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]propan-2-ol
CID 117404583
2-methoxy-6-methyl-4-[(E)-prop-1-enyl]phenol
CID 45266886
3-tert-butyl-4-methoxy-2,6-dimethylphenol
CID 58864792
2-methoxy-6-methyl-4-nitrosophenol
CID 23270217
5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid
CID 117352931
2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 58551068
2-(3,4-dimethoxy-5-nitrophenyl)propan-2-ol
CID 116987734
5-tert-butyl-2-hydroxy-3-methoxybenzonitrile
CID 117293587
5-tert-butyl-1,3-dimethoxy-2-methylbenzene
CID 59572485

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol (CID 117286306) is 4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol is COc1cc(C(C)(C)O)cc(C)c1O.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol?
The InChIKey is YRQIGJOYZYQBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7-5-8(11(2,3)13)6-9(14-4)10(7)12/h5-6,12-13H,1-4H3.
What are the key properties of 4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol?
4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol has a molecular weight of 196.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol is sourced from PubChem (CID 117286306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).