3-[(Z)-but-2-en-2-yl]-4-ethenylphenol

C12H14O — CID 89213419

IUPAC3-[(Z)-but-2-en-2-yl]-4-ethenylphenol
SMILESC=Cc1ccc(O)cc1/C(C)=C\C
InChIInChI=1S/C12H14O/c1-4-9(3)12-8-11(13)7-6-10(12)5-2/h4-8,13H,2H2,1,3H3/b9-4-
InChIKeyONJZUYMYNMHBNN-WTKPLQERSA-N
MW174.24 g/mol
LogP3.46
Rot. Bonds2

About 3-[(Z)-but-2-en-2-yl]-4-ethenylphenol

3-[(Z)-but-2-en-2-yl]-4-ethenylphenol (PubChem CID 89213419) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-[(Z)-but-2-en-2-yl]-4-ethenylphenol.

Molecular Properties

Compound Name3-[(Z)-but-2-en-2-yl]-4-ethenylphenol
PubChem CID89213419
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name3-[(Z)-but-2-en-2-yl]-4-ethenylphenol
SMILESC=Cc1ccc(O)cc1/C(C)=C\C
InChIInChI=1S/C12H14O/c1-4-9(3)12-8-11(13)7-6-10(12)5-2/h4-8,13H,2H2,1,3H3/b9-4-
InChIKeyONJZUYMYNMHBNN-WTKPLQERSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-2-en-2-yl]-4-ethenylphenol?
The IUPAC name of 3-[(Z)-but-2-en-2-yl]-4-ethenylphenol (CID 89213419) is 3-[(Z)-but-2-en-2-yl]-4-ethenylphenol.
What is the SMILES notation for 3-[(Z)-but-2-en-2-yl]-4-ethenylphenol?
The canonical SMILES for 3-[(Z)-but-2-en-2-yl]-4-ethenylphenol is C=Cc1ccc(O)cc1/C(C)=C\C.
What is the InChIKey of 3-[(Z)-but-2-en-2-yl]-4-ethenylphenol?
The InChIKey is ONJZUYMYNMHBNN-WTKPLQERSA-N. The full InChI is InChI=1S/C12H14O/c1-4-9(3)12-8-11(13)7-6-10(12)5-2/h4-8,13H,2H2,1,3H3/b9-4-.
What are the key properties of 3-[(Z)-but-2-en-2-yl]-4-ethenylphenol?
3-[(Z)-but-2-en-2-yl]-4-ethenylphenol has a molecular weight of 174.24 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-en-2-yl]-4-ethenylphenol is sourced from PubChem (CID 89213419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).