3-[(E)-but-2-en-2-yl]-5-phenylphenol

C16H16O — CID 143650351

IUPAC3-[(E)-but-2-en-2-yl]-5-phenylphenol
SMILESC/C=C(\C)c1cc(O)cc(-c2ccccc2)c1
InChIInChI=1S/C16H16O/c1-3-12(2)14-9-15(11-16(17)10-14)13-7-5-4-6-8-13/h3-11,17H,1-2H3/b12-3+
InChIKeyDFFXJNXWZAPGDK-KGVSQERTSA-N
MW224.30 g/mol
LogP4.48
Rot. Bonds2

About 3-[(E)-but-2-en-2-yl]-5-phenylphenol

3-[(E)-but-2-en-2-yl]-5-phenylphenol (PubChem CID 143650351) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[(E)-but-2-en-2-yl]-5-phenylphenol.

Molecular Properties

Compound Name3-[(E)-but-2-en-2-yl]-5-phenylphenol
PubChem CID143650351
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name3-[(E)-but-2-en-2-yl]-5-phenylphenol
SMILESC/C=C(\C)c1cc(O)cc(-c2ccccc2)c1
InChIInChI=1S/C16H16O/c1-3-12(2)14-9-15(11-16(17)10-14)13-7-5-4-6-8-13/h3-11,17H,1-2H3/b12-3+
InChIKeyDFFXJNXWZAPGDK-KGVSQERTSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-en-2-yl]-5-phenylphenol?
The IUPAC name of 3-[(E)-but-2-en-2-yl]-5-phenylphenol (CID 143650351) is 3-[(E)-but-2-en-2-yl]-5-phenylphenol.
What is the SMILES notation for 3-[(E)-but-2-en-2-yl]-5-phenylphenol?
The canonical SMILES for 3-[(E)-but-2-en-2-yl]-5-phenylphenol is C/C=C(\C)c1cc(O)cc(-c2ccccc2)c1.
What is the InChIKey of 3-[(E)-but-2-en-2-yl]-5-phenylphenol?
The InChIKey is DFFXJNXWZAPGDK-KGVSQERTSA-N. The full InChI is InChI=1S/C16H16O/c1-3-12(2)14-9-15(11-16(17)10-14)13-7-5-4-6-8-13/h3-11,17H,1-2H3/b12-3+.
What are the key properties of 3-[(E)-but-2-en-2-yl]-5-phenylphenol?
3-[(E)-but-2-en-2-yl]-5-phenylphenol has a molecular weight of 224.30 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-en-2-yl]-5-phenylphenol is sourced from PubChem (CID 143650351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).