2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol

C17H20O3 — CID 139908520

IUPAC2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol
SMILESCOc1cc(-c2ccccc2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H20O3/c1-17(2,3)14-10-11(20-4)9-13(16(14)19)12-7-5-6-8-15(12)18/h5-10,18-19H,1-4H3
InChIKeyNHMMSGOIDQNEIT-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.07
Rot. Bonds2

About 2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol

2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol (PubChem CID 139908520) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol
PubChem CID139908520
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol
SMILESCOc1cc(-c2ccccc2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H20O3/c1-17(2,3)14-10-11(20-4)9-13(16(14)19)12-7-5-6-8-15(12)18/h5-10,18-19H,1-4H3
InChIKeyNHMMSGOIDQNEIT-UHFFFAOYSA-N
XLogP4.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol
CID 166011841
2,6-ditert-butyl-4-methoxyphenol
CID 10269
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
2-tert-butyl-4-methoxy-6-[2-tri(propan-2-yl)silyloxynaphthalen-1-yl]phenol
CID 132542217
5-[[3-(3-tert-butyl-2,5-dihydroxyphenyl)-2-hydroxy-5-methoxyphenyl]methyl]-2,3-dimethylbenzene-1,4-diol
CID 156563736
[2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methoxyphenyl] 2,5,5-trimethylhexan-2-yl carbonate
CID 123929185
tert-butyl [2-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-6-[5-[3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-hydroxy-5-methoxyphenyl]-2,5-dimethylhexan-2-yl]-4-methoxyphenyl] carbonate
CID 134331391
2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol
CID 117347697
3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]-1-methylnaphthalen-2-ol
CID 163214329
2-(2,3-ditert-butylphenyl)phenol
CID 19881409
1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 117345137
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol?
The IUPAC name of 2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol (CID 139908520) is 2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol.
What is the SMILES notation for 2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol?
The canonical SMILES for 2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol is COc1cc(-c2ccccc2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol?
The InChIKey is NHMMSGOIDQNEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-17(2,3)14-10-11(20-4)9-13(16(14)19)12-7-5-6-8-15(12)18/h5-10,18-19H,1-4H3.
What are the key properties of 2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol?
2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol has a molecular weight of 272.34 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol is sourced from PubChem (CID 139908520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).