2-[(E)-but-2-enyl]-4,6-dimethylphenol

C12H16O — CID 131234251

IUPAC2-[(E)-but-2-enyl]-4,6-dimethylphenol
SMILESC/C=C/Cc1cc(C)cc(C)c1O
InChIInChI=1S/C12H16O/c1-4-5-6-11-8-9(2)7-10(3)12(11)13/h4-5,7-8,13H,6H2,1-3H3/b5-4+
InChIKeyGITHWIUTGFIQHL-SNAWJCMRSA-N
MW176.26 g/mol
LogP3.13
Rot. Bonds2

About 2-[(E)-but-2-enyl]-4,6-dimethylphenol

2-[(E)-but-2-enyl]-4,6-dimethylphenol (PubChem CID 131234251) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]-4,6-dimethylphenol
PubChem CID131234251
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-[(E)-but-2-enyl]-4,6-dimethylphenol
SMILESC/C=C/Cc1cc(C)cc(C)c1O
InChIInChI=1S/C12H16O/c1-4-5-6-11-8-9(2)7-10(3)12(11)13/h4-5,7-8,13H,6H2,1-3H3/b5-4+
InChIKeyGITHWIUTGFIQHL-SNAWJCMRSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
2-[(Z)-but-2-enyl]-4,6-dichlorophenol
CID 92532445
2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol
CID 118528705
(2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride
CID 117341424
2-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methyl]-4,6-dimethylphenol
CID 71213924
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
2-(cyclohexylmethyl)-4,6-dimethylphenol
CID 15094976
2-[(Z)-but-2-enyl]-6-[[2-[[3-[(Z)-but-2-enyl]-5-tert-butyl-2-hydroxyphenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-4-tert-butylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-methylphenol;4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-prop-2-enylphenyl)methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-prop-2-enylphenol
CID 161422258
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 20750468
2,4-dimethyl-6-(phenylsulfanylmethyl)phenol
CID 141131696

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]-4,6-dimethylphenol?
The IUPAC name of 2-[(E)-but-2-enyl]-4,6-dimethylphenol (CID 131234251) is 2-[(E)-but-2-enyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[(E)-but-2-enyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[(E)-but-2-enyl]-4,6-dimethylphenol is C/C=C/Cc1cc(C)cc(C)c1O.
What is the InChIKey of 2-[(E)-but-2-enyl]-4,6-dimethylphenol?
The InChIKey is GITHWIUTGFIQHL-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H16O/c1-4-5-6-11-8-9(2)7-10(3)12(11)13/h4-5,7-8,13H,6H2,1-3H3/b5-4+.
What are the key properties of 2-[(E)-but-2-enyl]-4,6-dimethylphenol?
2-[(E)-but-2-enyl]-4,6-dimethylphenol has a molecular weight of 176.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]-4,6-dimethylphenol is sourced from PubChem (CID 131234251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).