2,6-dimethoxy-4-propylphenol

C11H16O3 — CID 524975

IUPAC2,6-dimethoxy-4-propylphenol
SMILESCCCc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h6-7,12H,4-5H2,1-3H3
InChIKeyYHEWWEXPVKCVFY-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.36
Rot. Bonds4

About 2,6-dimethoxy-4-propylphenol

2,6-dimethoxy-4-propylphenol (PubChem CID 524975) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,6-dimethoxy-4-propylphenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-propylphenol
PubChem CID524975
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,6-dimethoxy-4-propylphenol
SMILESCCCc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h6-7,12H,4-5H2,1-3H3
InChIKeyYHEWWEXPVKCVFY-UHFFFAOYSA-N
XLogP2.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-propylphenol?
The IUPAC name of 2,6-dimethoxy-4-propylphenol (CID 524975) is 2,6-dimethoxy-4-propylphenol.
What is the SMILES notation for 2,6-dimethoxy-4-propylphenol?
The canonical SMILES for 2,6-dimethoxy-4-propylphenol is CCCc1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 2,6-dimethoxy-4-propylphenol?
The InChIKey is YHEWWEXPVKCVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-propylphenol?
2,6-dimethoxy-4-propylphenol has a molecular weight of 196.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-propylphenol is sourced from PubChem (CID 524975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).