3-but-3-enyl-4-methylphenol

C11H14O — CID 59165328

IUPAC3-but-3-enyl-4-methylphenol
SMILESC=CCCc1cc(O)ccc1C
InChIInChI=1S/C11H14O/c1-3-4-5-10-8-11(12)7-6-9(10)2/h3,6-8,12H,1,4-5H2,2H3
InChIKeyFGUXFVAPVSISHJ-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.82
Rot. Bonds3

About 3-but-3-enyl-4-methylphenol

3-but-3-enyl-4-methylphenol (PubChem CID 59165328) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-but-3-enyl-4-methylphenol.

Molecular Properties

Compound Name3-but-3-enyl-4-methylphenol
PubChem CID59165328
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name3-but-3-enyl-4-methylphenol
SMILESC=CCCc1cc(O)ccc1C
InChIInChI=1S/C11H14O/c1-3-4-5-10-8-11(12)7-6-9(10)2/h3,6-8,12H,1,4-5H2,2H3
InChIKeyFGUXFVAPVSISHJ-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-4-methylphenol?
The IUPAC name of 3-but-3-enyl-4-methylphenol (CID 59165328) is 3-but-3-enyl-4-methylphenol.
What is the SMILES notation for 3-but-3-enyl-4-methylphenol?
The canonical SMILES for 3-but-3-enyl-4-methylphenol is C=CCCc1cc(O)ccc1C.
What is the InChIKey of 3-but-3-enyl-4-methylphenol?
The InChIKey is FGUXFVAPVSISHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-3-4-5-10-8-11(12)7-6-9(10)2/h3,6-8,12H,1,4-5H2,2H3.
What are the key properties of 3-but-3-enyl-4-methylphenol?
3-but-3-enyl-4-methylphenol has a molecular weight of 162.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-4-methylphenol is sourced from PubChem (CID 59165328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).