ethane;ethene;4-ethenylphenol

C12H18O — CID 178000559

IUPACethane;ethene;4-ethenylphenol
SMILESC=C.C=Cc1ccc(O)cc1.CC
InChIInChI=1S/C8H8O.C2H6.C2H4/c1-2-7-3-5-8(9)6-4-7;2*1-2/h2-6,9H,1H2;1-2H3;1-2H2
InChIKeyCRWTVNAHKWYEOF-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.86
Rot. Bonds1

About ethane;ethene;4-ethenylphenol

ethane;ethene;4-ethenylphenol (PubChem CID 178000559) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is ethane;ethene;4-ethenylphenol.

Molecular Properties

Compound Nameethane;ethene;4-ethenylphenol
PubChem CID178000559
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Nameethane;ethene;4-ethenylphenol
SMILESC=C.C=Cc1ccc(O)cc1.CC
InChIInChI=1S/C8H8O.C2H6.C2H4/c1-2-7-3-5-8(9)6-4-7;2*1-2/h2-6,9H,1H2;1-2H3;1-2H2
InChIKeyCRWTVNAHKWYEOF-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethenylphenol;propan-2-ol
CID 159910746
1,2-bis(ethenyl)benzene;4-ethenylphenol
CID 131712069
benzene;ethene;phenol;styrene
CID 174599559
4-ethenylphenol;1-ethenyl-4-propan-2-yloxybenzene
CID 67420429
1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene
CID 174491340
phenol;styrene
CID 160675765
4-ethenylphenol;(4-ethenylphenyl)methanol;phosphane;vanadium
CID 158621664
ethane;(4-ethenylphenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 144902381
ethane;4-ethenylbenzaldehyde;methanol
CID 145257889
4-[N-(4-ethenylphenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol
CID 137026579
1-bromo-4-ethenylbenzene;ethane
CID 144688744
ethane;1-ethenyl-4-fluorobenzene
CID 143529924

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;4-ethenylphenol?
The IUPAC name of ethane;ethene;4-ethenylphenol (CID 178000559) is ethane;ethene;4-ethenylphenol.
What is the SMILES notation for ethane;ethene;4-ethenylphenol?
The canonical SMILES for ethane;ethene;4-ethenylphenol is C=C.C=Cc1ccc(O)cc1.CC.
What is the InChIKey of ethane;ethene;4-ethenylphenol?
The InChIKey is CRWTVNAHKWYEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C2H6.C2H4/c1-2-7-3-5-8(9)6-4-7;2*1-2/h2-6,9H,1H2;1-2H3;1-2H2.
What are the key properties of ethane;ethene;4-ethenylphenol?
ethane;ethene;4-ethenylphenol has a molecular weight of 178.27 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;4-ethenylphenol is sourced from PubChem (CID 178000559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).