2,3-bis(ethenyl)-4,6-dimethylphenol;ethane

C14H20O — CID 144779351

IUPAC2,3-bis(ethenyl)-4,6-dimethylphenol;ethane
SMILESC=Cc1c(C)cc(C)c(O)c1C=C.CC
InChIInChI=1S/C12H14O.C2H6/c1-5-10-8(3)7-9(4)12(13)11(10)6-2;1-2/h5-7,13H,1-2H2,3-4H3;1-2H3
InChIKeyCSVREFMXZJHDTK-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.32
Rot. Bonds2

About 2,3-bis(ethenyl)-4,6-dimethylphenol;ethane

2,3-bis(ethenyl)-4,6-dimethylphenol;ethane (PubChem CID 144779351) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4,6-dimethylphenol;ethane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4,6-dimethylphenol;ethane
PubChem CID144779351
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2,3-bis(ethenyl)-4,6-dimethylphenol;ethane
SMILESC=Cc1c(C)cc(C)c(O)c1C=C.CC
InChIInChI=1S/C12H14O.C2H6/c1-5-10-8(3)7-9(4)12(13)11(10)6-2;1-2/h5-7,13H,1-2H2,3-4H3;1-2H3
InChIKeyCSVREFMXZJHDTK-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-2,3-bis(ethenyl)-6-methylphenol
CID 163302498
5-ethenyl-3-methylbenzene-1,2-diol
CID 151306271
2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
2-ethenyl-4-methoxy-6-methyl-3-(methylamino)phenol
CID 165100560
4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
CID 54449458
2,4,6-tris(ethenyl)benzene-1,3,5-triol
CID 164702069
2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene
CID 145238081
4-ethenyl-1,2,3-trifluoro-5-methylbenzene
CID 141314724
3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol
CID 144779247
[2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane
CID 145207353
3-ethenyl-2,5,6-trimethylphenol;methanol
CID 171080128
1-chloro-2-ethenyl-3,5-dimethylbenzene
CID 143091149

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4,6-dimethylphenol;ethane?
The IUPAC name of 2,3-bis(ethenyl)-4,6-dimethylphenol;ethane (CID 144779351) is 2,3-bis(ethenyl)-4,6-dimethylphenol;ethane.
What is the SMILES notation for 2,3-bis(ethenyl)-4,6-dimethylphenol;ethane?
The canonical SMILES for 2,3-bis(ethenyl)-4,6-dimethylphenol;ethane is C=Cc1c(C)cc(C)c(O)c1C=C.CC.
What is the InChIKey of 2,3-bis(ethenyl)-4,6-dimethylphenol;ethane?
The InChIKey is CSVREFMXZJHDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C2H6/c1-5-10-8(3)7-9(4)12(13)11(10)6-2;1-2/h5-7,13H,1-2H2,3-4H3;1-2H3.
What are the key properties of 2,3-bis(ethenyl)-4,6-dimethylphenol;ethane?
2,3-bis(ethenyl)-4,6-dimethylphenol;ethane has a molecular weight of 204.31 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4,6-dimethylphenol;ethane is sourced from PubChem (CID 144779351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).