1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene

C12H16O — CID 577531

IUPAC1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESC=Cc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3
InChIKeyGRFNSWBVXHLTCI-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.51
Rot. Bonds2

About 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene

1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 577531) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID577531
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESC=Cc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3
InChIKeyGRFNSWBVXHLTCI-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 158836973
1-ethenyl-4-(2-ethoxy-3,3-dimethylbutan-2-yl)oxybenzene
CID 23504193
2-[3-[2-(4-ethenylphenoxy)propan-2-yl]phenyl]propan-2-ol
CID 121474400
1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene
CID 23504206
1-tert-butyl-4-ethenylbenzene
CID 15627
1-ethenyl-4-methylperoxybenzene
CID 21053359
1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane
CID 144776669
1-ethenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)benzene
CID 171042002
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
1-(2-cyclohexyloxy-3,3-dimethylbutan-2-yl)oxy-4-ethenylbenzene
CID 23504210
tert-butyl 2-(4-ethenylphenoxy)acetate
CID 18762166
1-ethenyl-4-(2-methylbutan-2-yloxy)benzene;2-ethenylphenol
CID 22316178

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene (CID 577531) is 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene is C=Cc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is GRFNSWBVXHLTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3.
What are the key properties of 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene?
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 176.26 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 577531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).