6-ethyl-3-methyl-2-propan-2-ylphenol

C12H18O — CID 89393245

IUPAC6-ethyl-3-methyl-2-propan-2-ylphenol
SMILESCCc1ccc(C)c(C(C)C)c1O
InChIInChI=1S/C12H18O/c1-5-10-7-6-9(4)11(8(2)3)12(10)13/h6-8,13H,5H2,1-4H3
InChIKeyCCTGUMLNJHDNGT-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.39
Rot. Bonds2

About 6-ethyl-3-methyl-2-propan-2-ylphenol

6-ethyl-3-methyl-2-propan-2-ylphenol (PubChem CID 89393245) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 6-ethyl-3-methyl-2-propan-2-ylphenol.

Molecular Properties

Compound Name6-ethyl-3-methyl-2-propan-2-ylphenol
PubChem CID89393245
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name6-ethyl-3-methyl-2-propan-2-ylphenol
SMILESCCc1ccc(C)c(C(C)C)c1O
InChIInChI=1S/C12H18O/c1-5-10-7-6-9(4)11(8(2)3)12(10)13/h6-8,13H,5H2,1-4H3
InChIKeyCCTGUMLNJHDNGT-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene
CID 168959463
(2-hydroxy-4-methyl-3-propan-2-ylphenyl) butanoate
CID 175232398
2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid
CID 117345076
2-hydroxy-4-methyl-3-propan-2-ylbenzamide
CID 57373684
2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide
CID 23618172
2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol
CID 117343732
4-methyl-3-propan-2-yl-2-propylphenol
CID 143280508
2-ethyl-3-methyl-6-propan-2-ylphenol
CID 141031385
2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol
CID 117316995
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653
2-ethyl-5-propan-2-ylphenol
CID 45096246
3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol
CID 158712110

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-2-propan-2-ylphenol?
The IUPAC name of 6-ethyl-3-methyl-2-propan-2-ylphenol (CID 89393245) is 6-ethyl-3-methyl-2-propan-2-ylphenol.
What is the SMILES notation for 6-ethyl-3-methyl-2-propan-2-ylphenol?
The canonical SMILES for 6-ethyl-3-methyl-2-propan-2-ylphenol is CCc1ccc(C)c(C(C)C)c1O.
What is the InChIKey of 6-ethyl-3-methyl-2-propan-2-ylphenol?
The InChIKey is CCTGUMLNJHDNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-10-7-6-9(4)11(8(2)3)12(10)13/h6-8,13H,5H2,1-4H3.
What are the key properties of 6-ethyl-3-methyl-2-propan-2-ylphenol?
6-ethyl-3-methyl-2-propan-2-ylphenol has a molecular weight of 178.28 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-2-propan-2-ylphenol is sourced from PubChem (CID 89393245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).