1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol

C21H26O2 — CID 22316178

IUPAC1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol
SMILESC=Cc1ccc(OC(C)(C)CC)cc1.C=Cc1ccccc1O
InChIInChI=1S/C13H18O.C8H8O/c1-5-11-7-9-12(10-8-11)14-13(3,4)6-2;1-2-7-5-3-4-6-8(7)9/h5,7-10H,1,6H2,2-4H3;2-6,9H,1H2
InChIKeyADSROEYCOKXFQL-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.93
Rot. Bonds5

About 1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol

1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol (PubChem CID 22316178) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol.

Molecular Properties

Compound Name1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol
PubChem CID22316178
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol
SMILESC=Cc1ccc(OC(C)(C)CC)cc1.C=Cc1ccccc1O
InChIInChI=1S/C13H18O.C8H8O/c1-5-11-7-9-12(10-8-11)14-13(3,4)6-2;1-2-7-5-3-4-6-8(7)9/h5,7-10H,1,6H2,2-4H3;2-6,9H,1H2
InChIKeyADSROEYCOKXFQL-UHFFFAOYSA-N
XLogP5.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethenyl-4-(2-methyl-1-propoxypropoxy)benzene;2-ethenylphenol
CID 69425854
2-ethenylphenol
CID 161061609
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 577531
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 158836973
CID 67789680
CID 67789680
CID 162316519
CID 162316519
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene
CID 22336719
1-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 572689
1,2-bis(ethenyl)benzene;4-ethenylphenol
CID 131712069
1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene
CID 23504193
dimethoxysilane;2-ethenylphenol
CID 159721721

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol?
The IUPAC name of 1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol (CID 22316178) is 1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol.
What is the SMILES notation for 1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol?
The canonical SMILES for 1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol is C=Cc1ccc(OC(C)(C)CC)cc1.C=Cc1ccccc1O.
What is the InChIKey of 1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol?
The InChIKey is ADSROEYCOKXFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C8H8O/c1-5-11-7-9-12(10-8-11)14-13(3,4)6-2;1-2-7-5-3-4-6-8(7)9/h5,7-10H,1,6H2,2-4H3;2-6,9H,1H2.
What are the key properties of 1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol?
1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol has a molecular weight of 310.44 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol is sourced from PubChem (CID 22316178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).