3-(1-methoxyethenyl)-5-propan-2-yloxyphenol

C12H16O3 — CID 67489284

IUPAC3-(1-methoxyethenyl)-5-propan-2-yloxyphenol
SMILESC=C(OC)c1cc(O)cc(OC(C)C)c1
InChIInChI=1S/C12H16O3/c1-8(2)15-12-6-10(9(3)14-4)5-11(13)7-12/h5-8,13H,3H2,1-2,4H3
InChIKeyYFLIFPIGMABSBE-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.80
Rot. Bonds4

About 3-(1-methoxyethenyl)-5-propan-2-yloxyphenol

3-(1-methoxyethenyl)-5-propan-2-yloxyphenol (PubChem CID 67489284) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(1-methoxyethenyl)-5-propan-2-yloxyphenol.

Molecular Properties

Compound Name3-(1-methoxyethenyl)-5-propan-2-yloxyphenol
PubChem CID67489284
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-(1-methoxyethenyl)-5-propan-2-yloxyphenol
SMILESC=C(OC)c1cc(O)cc(OC(C)C)c1
InChIInChI=1S/C12H16O3/c1-8(2)15-12-6-10(9(3)14-4)5-11(13)7-12/h5-8,13H,3H2,1-2,4H3
InChIKeyYFLIFPIGMABSBE-UHFFFAOYSA-N
XLogP2.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethenyl)-5-propan-2-yloxyphenol?
The IUPAC name of 3-(1-methoxyethenyl)-5-propan-2-yloxyphenol (CID 67489284) is 3-(1-methoxyethenyl)-5-propan-2-yloxyphenol.
What is the SMILES notation for 3-(1-methoxyethenyl)-5-propan-2-yloxyphenol?
The canonical SMILES for 3-(1-methoxyethenyl)-5-propan-2-yloxyphenol is C=C(OC)c1cc(O)cc(OC(C)C)c1.
What is the InChIKey of 3-(1-methoxyethenyl)-5-propan-2-yloxyphenol?
The InChIKey is YFLIFPIGMABSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)15-12-6-10(9(3)14-4)5-11(13)7-12/h5-8,13H,3H2,1-2,4H3.
What are the key properties of 3-(1-methoxyethenyl)-5-propan-2-yloxyphenol?
3-(1-methoxyethenyl)-5-propan-2-yloxyphenol has a molecular weight of 208.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethenyl)-5-propan-2-yloxyphenol is sourced from PubChem (CID 67489284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).