5-(3-hydroxypropyl)-2,3-dimethoxyphenol

C11H16O4 — CID 72942686

IUPAC5-(3-hydroxypropyl)-2,3-dimethoxyphenol
SMILESCOc1cc(CCCO)cc(O)c1OC
InChIInChI=1S/C11H16O4/c1-14-10-7-8(4-3-5-12)6-9(13)11(10)15-2/h6-7,12-13H,3-5H2,1-2H3
InChIKeyKULKGPSLJYNYLG-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.33
Rot. Bonds5

About 5-(3-hydroxypropyl)-2,3-dimethoxyphenol

5-(3-hydroxypropyl)-2,3-dimethoxyphenol (PubChem CID 72942686) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)-2,3-dimethoxyphenol.

Molecular Properties

Compound Name5-(3-hydroxypropyl)-2,3-dimethoxyphenol
PubChem CID72942686
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name5-(3-hydroxypropyl)-2,3-dimethoxyphenol
SMILESCOc1cc(CCCO)cc(O)c1OC
InChIInChI=1S/C11H16O4/c1-14-10-7-8(4-3-5-12)6-9(13)11(10)15-2/h6-7,12-13H,3-5H2,1-2H3
InChIKeyKULKGPSLJYNYLG-UHFFFAOYSA-N
XLogP1.33
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropyl)-2,3-dimethoxyphenol?
The IUPAC name of 5-(3-hydroxypropyl)-2,3-dimethoxyphenol (CID 72942686) is 5-(3-hydroxypropyl)-2,3-dimethoxyphenol.
What is the SMILES notation for 5-(3-hydroxypropyl)-2,3-dimethoxyphenol?
The canonical SMILES for 5-(3-hydroxypropyl)-2,3-dimethoxyphenol is COc1cc(CCCO)cc(O)c1OC.
What is the InChIKey of 5-(3-hydroxypropyl)-2,3-dimethoxyphenol?
The InChIKey is KULKGPSLJYNYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-14-10-7-8(4-3-5-12)6-9(13)11(10)15-2/h6-7,12-13H,3-5H2,1-2H3.
What are the key properties of 5-(3-hydroxypropyl)-2,3-dimethoxyphenol?
5-(3-hydroxypropyl)-2,3-dimethoxyphenol has a molecular weight of 212.24 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)-2,3-dimethoxyphenol is sourced from PubChem (CID 72942686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).