2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol

C19H24O — CID 22216123

IUPAC2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol
SMILESCc1ccccc1C(C)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C19H24O/c1-13-9-6-7-10-15(13)14(2)16-11-8-12-17(18(16)20)19(3,4)5/h6-12,14,20H,1-5H3
InChIKeyPPLVVLJJUMLJLW-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.15
Rot. Bonds2

About 2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol

2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol (PubChem CID 22216123) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol
PubChem CID22216123
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol
SMILESCc1ccccc1C(C)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C19H24O/c1-13-9-6-7-10-15(13)14(2)16-11-8-12-17(18(16)20)19(3,4)5/h6-12,14,20H,1-5H3
InChIKeyPPLVVLJJUMLJLW-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-6-methylphenol
CID 16678
2-tert-butyl-6-methylphenol;methane
CID 159779150
bis(2-tert-butyl-6-methylphenol);dichlorotitanium
CID 15872809
2-[1-(2-methylphenyl)ethyl]benzene-1,4-diol
CID 57015067
2,6-ditert-butylphenol;2-methylpropanedioic acid
CID 158945163
ethyl 2-(3-tert-butyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117383969
2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol
CID 15123945
2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
2-tert-butyl-6-[(2-propan-2-ylphenyl)iminomethyl]phenol;titanium(2+);dichloride
CID 175088591
CID 11225844
CID 11225844
2-tert-butyl-6-propan-2-ylbenzenethiol
CID 175036123

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol?
The IUPAC name of 2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol (CID 22216123) is 2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol is Cc1ccccc1C(C)c1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol?
The InChIKey is PPLVVLJJUMLJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-13-9-6-7-10-15(13)14(2)16-11-8-12-17(18(16)20)19(3,4)5/h6-12,14,20H,1-5H3.
What are the key properties of 2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol?
2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol has a molecular weight of 268.40 g/mol, XLogP of 5.15, 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-[1-(2-methylphenyl)ethyl]phenol is sourced from PubChem (CID 22216123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).