3-ethenyl-2,5,6-trimethylphenol;methanol

C12H18O2 — CID 171080128

IUPAC3-ethenyl-2,5,6-trimethylphenol;methanol
SMILESC=Cc1cc(C)c(C)c(O)c1C.CO
InChIInChI=1S/C11H14O.CH4O/c1-5-10-6-7(2)8(3)11(12)9(10)4;1-2/h5-6,12H,1H2,2-4H3;2H,1H3
InChIKeyDOPZZCKUVXZRBE-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.57
Rot. Bonds1

About 3-ethenyl-2,5,6-trimethylphenol;methanol

3-ethenyl-2,5,6-trimethylphenol;methanol (PubChem CID 171080128) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-ethenyl-2,5,6-trimethylphenol;methanol.

Molecular Properties

Compound Name3-ethenyl-2,5,6-trimethylphenol;methanol
PubChem CID171080128
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-ethenyl-2,5,6-trimethylphenol;methanol
SMILESC=Cc1cc(C)c(C)c(O)c1C.CO
InChIInChI=1S/C11H14O.CH4O/c1-5-10-6-7(2)8(3)11(12)9(10)4;1-2/h5-6,12H,1H2,2-4H3;2H,1H3
InChIKeyDOPZZCKUVXZRBE-UHFFFAOYSA-N
XLogP2.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4-tris(ethenyl)-5-methylbenzene
CID 59335502
2-[(E)-2-chloroprop-1-enyl]-1-ethenyl-3,4,5-trimethylbenzene
CID 156548633
(3-ethenyl-4,5-dimethylphenyl) acetate
CID 18976594
CID 175584577
CID 175584577
2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol
CID 86718690
2-bromo-6-ethenyl-4-methylphenol
CID 177021092
3-ethenyl-2-methylphenol
CID 22336775
2,7-bis(ethenyl)-3,6-dimethylnaphthalene
CID 174382299
1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane
CID 153344480
5-ethenyl-3-methylbenzene-1,2-diol
CID 151306271
N-(2-ethenyl-4,5-dimethylphenyl)methanimine
CID 177137027
2,3-bis(ethenyl)-4,6-dimethylphenol;ethane
CID 144779351

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,5,6-trimethylphenol;methanol?
The IUPAC name of 3-ethenyl-2,5,6-trimethylphenol;methanol (CID 171080128) is 3-ethenyl-2,5,6-trimethylphenol;methanol.
What is the SMILES notation for 3-ethenyl-2,5,6-trimethylphenol;methanol?
The canonical SMILES for 3-ethenyl-2,5,6-trimethylphenol;methanol is C=Cc1cc(C)c(C)c(O)c1C.CO.
What is the InChIKey of 3-ethenyl-2,5,6-trimethylphenol;methanol?
The InChIKey is DOPZZCKUVXZRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.CH4O/c1-5-10-6-7(2)8(3)11(12)9(10)4;1-2/h5-6,12H,1H2,2-4H3;2H,1H3.
What are the key properties of 3-ethenyl-2,5,6-trimethylphenol;methanol?
3-ethenyl-2,5,6-trimethylphenol;methanol has a molecular weight of 194.27 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,5,6-trimethylphenol;methanol is sourced from PubChem (CID 171080128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).