3-[(E)-but-1-enyl]-2-methylphenol

C11H14O — CID 173140204

IUPAC3-[(E)-but-1-enyl]-2-methylphenol
SMILESCC/C=C/c1cccc(O)c1C
InChIInChI=1S/C11H14O/c1-3-4-6-10-7-5-8-11(12)9(10)2/h4-8,12H,3H2,1-2H3/b6-4+
InChIKeyPEDYWVGPYIPDOB-GQCTYLIASA-N
MW162.23 g/mol
LogP3.12
Rot. Bonds2

About 3-[(E)-but-1-enyl]-2-methylphenol

3-[(E)-but-1-enyl]-2-methylphenol (PubChem CID 173140204) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]-2-methylphenol.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]-2-methylphenol
PubChem CID173140204
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name3-[(E)-but-1-enyl]-2-methylphenol
SMILESCC/C=C/c1cccc(O)c1C
InChIInChI=1S/C11H14O/c1-3-4-6-10-7-5-8-11(12)9(10)2/h4-8,12H,3H2,1-2H3/b6-4+
InChIKeyPEDYWVGPYIPDOB-GQCTYLIASA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enyl]-2-methylphenol?
The IUPAC name of 3-[(E)-but-1-enyl]-2-methylphenol (CID 173140204) is 3-[(E)-but-1-enyl]-2-methylphenol.
What is the SMILES notation for 3-[(E)-but-1-enyl]-2-methylphenol?
The canonical SMILES for 3-[(E)-but-1-enyl]-2-methylphenol is CC/C=C/c1cccc(O)c1C.
What is the InChIKey of 3-[(E)-but-1-enyl]-2-methylphenol?
The InChIKey is PEDYWVGPYIPDOB-GQCTYLIASA-N. The full InChI is InChI=1S/C11H14O/c1-3-4-6-10-7-5-8-11(12)9(10)2/h4-8,12H,3H2,1-2H3/b6-4+.
What are the key properties of 3-[(E)-but-1-enyl]-2-methylphenol?
3-[(E)-but-1-enyl]-2-methylphenol has a molecular weight of 162.23 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-1-enyl]-2-methylphenol is sourced from PubChem (CID 173140204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).