3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol

C13H18O3 — CID 3048393

IUPAC3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol
SMILESC=CCc1cccc(C)c1OCC(O)CO
InChIInChI=1S/C13H18O3/c1-3-5-11-7-4-6-10(2)13(11)16-9-12(15)8-14/h3-4,6-7,12,14-15H,1,5,8-9H2,2H3
InChIKeyPDQZSLQGPNGYIF-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.46
Rot. Bonds6

About 3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol

3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol (PubChem CID 3048393) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol
PubChem CID3048393
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol
SMILESC=CCc1cccc(C)c1OCC(O)CO
InChIInChI=1S/C13H18O3/c1-3-5-11-7-4-6-10(2)13(11)16-9-12(15)8-14/h3-4,6-7,12,14-15H,1,5,8-9H2,2H3
InChIKeyPDQZSLQGPNGYIF-UHFFFAOYSA-N
XLogP1.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol?
The IUPAC name of 3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol (CID 3048393) is 3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol?
The canonical SMILES for 3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol is C=CCc1cccc(C)c1OCC(O)CO.
What is the InChIKey of 3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol?
The InChIKey is PDQZSLQGPNGYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-5-11-7-4-6-10(2)13(11)16-9-12(15)8-14/h3-4,6-7,12,14-15H,1,5,8-9H2,2H3.
What are the key properties of 3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol?
3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol has a molecular weight of 222.28 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-prop-2-enylphenoxy)propane-1,2-diol is sourced from PubChem (CID 3048393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).