3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol

C12H14O2 — CID 70435602

IUPAC3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol
SMILESC=CCc1c(O)cccc1C(O)C=C
InChIInChI=1S/C12H14O2/c1-3-6-9-10(11(13)4-2)7-5-8-12(9)14/h3-5,7-8,11,13-14H,1-2,6H2
InChIKeyVRRHQMZJYFYZDP-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.34
Rot. Bonds4

About 3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol

3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol (PubChem CID 70435602) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol.

Molecular Properties

Compound Name3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol
PubChem CID70435602
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol
SMILESC=CCc1c(O)cccc1C(O)C=C
InChIInChI=1S/C12H14O2/c1-3-6-9-10(11(13)4-2)7-5-8-12(9)14/h3-5,7-8,11,13-14H,1-2,6H2
InChIKeyVRRHQMZJYFYZDP-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol?
The IUPAC name of 3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol (CID 70435602) is 3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol.
What is the SMILES notation for 3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol?
The canonical SMILES for 3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol is C=CCc1c(O)cccc1C(O)C=C.
What is the InChIKey of 3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol?
The InChIKey is VRRHQMZJYFYZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-6-9-10(11(13)4-2)7-5-8-12(9)14/h3-5,7-8,11,13-14H,1-2,6H2.
What are the key properties of 3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol?
3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol has a molecular weight of 190.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol is sourced from PubChem (CID 70435602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).