phenol;propane-1,2-diol;prop-1-ene

C12H20O3 — CID 174392843

IUPACphenol;propane-1,2-diol;prop-1-ene
SMILESC=CC.CC(O)CO.Oc1ccccc1
InChIInChI=1S/C6H6O.C3H8O2.C3H6/c7-6-4-2-1-3-5-6;1-3(5)2-4;1-3-2/h1-5,7H;3-5H,2H2,1H3;3H,1H2,2H3
InChIKeyJPNLBLQPZQVHNG-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.94
Rot. Bonds1

About phenol;propane-1,2-diol;prop-1-ene

phenol;propane-1,2-diol;prop-1-ene (PubChem CID 174392843) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is phenol;propane-1,2-diol;prop-1-ene.

Molecular Properties

Compound Namephenol;propane-1,2-diol;prop-1-ene
PubChem CID174392843
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namephenol;propane-1,2-diol;prop-1-ene
SMILESC=CC.CC(O)CO.Oc1ccccc1
InChIInChI=1S/C6H6O.C3H8O2.C3H6/c7-6-4-2-1-3-5-6;1-3(5)2-4;1-3-2/h1-5,7H;3-5H,2H2,1H3;3H,1H2,2H3
InChIKeyJPNLBLQPZQVHNG-UHFFFAOYSA-N
XLogP1.94
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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propane-1,2-diol;prop-1-enylbenzene
CID 161072622
2-(hydroxymethyl)propane-1,3-diol;phenol
CID 66686681
CID 174852857
CID 174852857
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ethane;ethanol;phenol
CID 90945596
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Frequently Asked Questions

What is the IUPAC name of phenol;propane-1,2-diol;prop-1-ene?
The IUPAC name of phenol;propane-1,2-diol;prop-1-ene (CID 174392843) is phenol;propane-1,2-diol;prop-1-ene.
What is the SMILES notation for phenol;propane-1,2-diol;prop-1-ene?
The canonical SMILES for phenol;propane-1,2-diol;prop-1-ene is C=CC.CC(O)CO.Oc1ccccc1.
What is the InChIKey of phenol;propane-1,2-diol;prop-1-ene?
The InChIKey is JPNLBLQPZQVHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C3H8O2.C3H6/c7-6-4-2-1-3-5-6;1-3(5)2-4;1-3-2/h1-5,7H;3-5H,2H2,1H3;3H,1H2,2H3.
What are the key properties of phenol;propane-1,2-diol;prop-1-ene?
phenol;propane-1,2-diol;prop-1-ene has a molecular weight of 212.29 g/mol, XLogP of 1.94, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;propane-1,2-diol;prop-1-ene is sourced from PubChem (CID 174392843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).