2-tert-butyl-5-methyl-4-propan-2-ylphenol

C14H22O — CID 14266735

IUPAC2-tert-butyl-5-methyl-4-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1C(C)C
InChIInChI=1S/C14H22O/c1-9(2)11-8-12(14(4,5)6)13(15)7-10(11)3/h7-9,15H,1-6H3
InChIKeyPJYFZYNJPNRAOC-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.12
Rot. Bonds1

About 2-tert-butyl-5-methyl-4-propan-2-ylphenol

2-tert-butyl-5-methyl-4-propan-2-ylphenol (PubChem CID 14266735) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-propan-2-ylphenol
PubChem CID14266735
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-tert-butyl-5-methyl-4-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1C(C)C
InChIInChI=1S/C14H22O/c1-9(2)11-8-12(14(4,5)6)13(15)7-10(11)3/h7-9,15H,1-6H3
InChIKeyPJYFZYNJPNRAOC-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol
CID 58510517
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol
CID 162123967
2,4-ditert-butyl-5-methylphenol
CID 10346
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-5-methylphenol
CID 15919604
4-[1,3-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-2,5-dimethylphenol;propane
CID 158091372
4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol;prop-1-ene
CID 174857958
2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
CID 160646007
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)pent-4-enyl]-5-methylphenol
CID 172722860
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol
CID 117318718
2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol
CID 1270910
1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene
CID 144517673

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4-propan-2-ylphenol?
The IUPAC name of 2-tert-butyl-5-methyl-4-propan-2-ylphenol (CID 14266735) is 2-tert-butyl-5-methyl-4-propan-2-ylphenol.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-propan-2-ylphenol?
The canonical SMILES for 2-tert-butyl-5-methyl-4-propan-2-ylphenol is Cc1cc(O)c(C(C)(C)C)cc1C(C)C.
What is the InChIKey of 2-tert-butyl-5-methyl-4-propan-2-ylphenol?
The InChIKey is PJYFZYNJPNRAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-9(2)11-8-12(14(4,5)6)13(15)7-10(11)3/h7-9,15H,1-6H3.
What are the key properties of 2-tert-butyl-5-methyl-4-propan-2-ylphenol?
2-tert-butyl-5-methyl-4-propan-2-ylphenol has a molecular weight of 206.33 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4-propan-2-ylphenol is sourced from PubChem (CID 14266735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).