2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol

C19H24O — CID 22216122

IUPAC2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol
SMILESCc1cccc(Cc2cccc(C(C)(C)C)c2O)c1C
InChIInChI=1S/C19H24O/c1-13-8-6-9-15(14(13)2)12-16-10-7-11-17(18(16)20)19(3,4)5/h6-11,20H,12H2,1-5H3
InChIKeyJODVLOGKSMRWFN-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.90
Rot. Bonds2

About 2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol

2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol (PubChem CID 22216122) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol
PubChem CID22216122
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol
SMILESCc1cccc(Cc2cccc(C(C)(C)C)c2O)c1C
InChIInChI=1S/C19H24O/c1-13-8-6-9-15(14(13)2)12-16-10-7-11-17(18(16)20)19(3,4)5/h6-11,20H,12H2,1-5H3
InChIKeyJODVLOGKSMRWFN-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol;bis(propan-2-ol);titanium
CID 134902928
2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 86162774
2-tert-butyl-6-methylphenol
CID 16678
2-tert-butyl-6-methylphenol;methane
CID 159779150
2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol
CID 140654230
2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
CID 20768179
1-[[4-[(2,3-dimethylphenyl)methyl]phenyl]methyl]-2,3-dimethylbenzene
CID 123304206
bis(2-tert-butyl-6-methylphenol);dichlorotitanium
CID 15872809
3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol
CID 54300976
2-tert-butyl-6-pentadecylphenol
CID 151192860
2-tert-butyl-6-[(2-hydroxyethylamino)methyl]phenol
CID 21199225

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol?
The IUPAC name of 2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol (CID 22216122) is 2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol is Cc1cccc(Cc2cccc(C(C)(C)C)c2O)c1C.
What is the InChIKey of 2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol?
The InChIKey is JODVLOGKSMRWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-13-8-6-9-15(14(13)2)12-16-10-7-11-17(18(16)20)19(3,4)5/h6-11,20H,12H2,1-5H3.
What are the key properties of 2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol?
2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol has a molecular weight of 268.40 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol is sourced from PubChem (CID 22216122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).