coniferyl alcohol radical

C10H11O3 — CID 122706626

IUPAC—
SMILESCOC1=C/C(=C\[CH]CO)C=CC1=O
InChIInChI=1S/C10H11O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11H,6H2,1H3/b8-3-
InChIKeyORAJWSYKRGVTDP-BAQGIRSFSA-N
MW179.19 g/mol
LogP0.78
Rot. Bonds3

About coniferyl alcohol radical

coniferyl alcohol radical (PubChem CID 122706626) has the molecular formula C10H11O3 and a molecular weight of 179.19 g/mol.

Molecular Properties

Compound Nameconiferyl alcohol radical
PubChem CID122706626
Molecular FormulaC10H11O3
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name—
SMILESCOC1=C/C(=C\[CH]CO)C=CC1=O
InChIInChI=1S/C10H11O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11H,6H2,1H3/b8-3-
InChIKeyORAJWSYKRGVTDP-BAQGIRSFSA-N
XLogP0.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of coniferyl alcohol radical?
The IUPAC name of coniferyl alcohol radical (CID 122706626) is not available.
What is the SMILES notation for coniferyl alcohol radical?
The canonical SMILES for coniferyl alcohol radical is COC1=C/C(=C\[CH]CO)C=CC1=O.
What is the InChIKey of coniferyl alcohol radical?
The InChIKey is ORAJWSYKRGVTDP-BAQGIRSFSA-N. The full InChI is InChI=1S/C10H11O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11H,6H2,1H3/b8-3-.
What are the key properties of coniferyl alcohol radical?
coniferyl alcohol radical has a molecular weight of 179.19 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for coniferyl alcohol radical is sourced from PubChem (CID 122706626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).