1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene

C28H32O — CID 174491340

IUPAC1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene
SMILESC=Cc1ccc(C(C)(C)C)cc1.C=Cc1ccc(O)cc1.C=Cc1ccccc1
InChIInChI=1S/C12H16.C8H8O.C8H8/c1-5-10-6-8-11(9-7-10)12(2,3)4;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h5-9H,1H2,2-4H3;2-6,9H,1H2;2-7H,1H2
InChIKeyJGDOKACKQSQWMH-UHFFFAOYSA-N
MW384.56 g/mol
LogP7.99
Rot. Bonds3

About 1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene

1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene (PubChem CID 174491340) has the molecular formula C28H32O and a molecular weight of 384.56 g/mol. Its IUPAC name is 1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene.

Molecular Properties

Compound Name1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene
PubChem CID174491340
Molecular FormulaC28H32O
Molecular Weight384.56 g/mol
Exact Mass384.25
IUPAC Name1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene
SMILESC=Cc1ccc(C(C)(C)C)cc1.C=Cc1ccc(O)cc1.C=Cc1ccccc1
InChIInChI=1S/C12H16.C8H8O.C8H8/c1-5-10-6-8-11(9-7-10)12(2,3)4;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h5-9H,1H2,2-4H3;2-6,9H,1H2;2-7H,1H2
InChIKeyJGDOKACKQSQWMH-UHFFFAOYSA-N
XLogP7.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-ethenylbenzene
CID 15627
phenol;styrene
CID 160675765
benzene;ethene;phenol;styrene
CID 174599559
ethane;ethene;4-ethenylphenol
CID 178000559
chloromethane;styrene
CID 122701035
1,2-bis(ethenyl)benzene;4-ethenylphenol
CID 131712069
4-ethenylphenol;propan-2-ol
CID 159910746
2,4-bis(4-tert-butylphenyl)-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine;2-(4-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158510464
ethane;methanol;styrene;1,1,1-trifluoroethane
CID 91236392
4-tert-butylphenol;cobalt
CID 174380967
benzene;ethane;styrene
CID 21219610
bis(4-tert-butylphenol);zirconium
CID 87864994

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene?
The IUPAC name of 1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene (CID 174491340) is 1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene.
What is the SMILES notation for 1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene?
The canonical SMILES for 1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene is C=Cc1ccc(C(C)(C)C)cc1.C=Cc1ccc(O)cc1.C=Cc1ccccc1.
What is the InChIKey of 1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene?
The InChIKey is JGDOKACKQSQWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C8H8O.C8H8/c1-5-10-6-8-11(9-7-10)12(2,3)4;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h5-9H,1H2,2-4H3;2-6,9H,1H2;2-7H,1H2.
What are the key properties of 1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene?
1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene has a molecular weight of 384.56 g/mol, XLogP of 7.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene is sourced from PubChem (CID 174491340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).