4-(3-hydroxypropyl)-2,6-dimethoxyphenol

C11H16O4 — CID 529893

IUPAC4-(3-hydroxypropyl)-2,6-dimethoxyphenol
SMILESCOc1cc(CCCO)cc(OC)c1O
InChIInChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3
InChIKeyPHOPGVYKZWPIGA-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.33
Rot. Bonds5

About 4-(3-hydroxypropyl)-2,6-dimethoxyphenol

4-(3-hydroxypropyl)-2,6-dimethoxyphenol (PubChem CID 529893) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-2,6-dimethoxyphenol
PubChem CID529893
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name4-(3-hydroxypropyl)-2,6-dimethoxyphenol
SMILESCOc1cc(CCCO)cc(OC)c1O
InChIInChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3
InChIKeyPHOPGVYKZWPIGA-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 4-(3-hydroxypropyl)-2,6-dimethoxyphenol?
The IUPAC name of 4-(3-hydroxypropyl)-2,6-dimethoxyphenol (CID 529893) is 4-(3-hydroxypropyl)-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(3-hydroxypropyl)-2,6-dimethoxyphenol?
The canonical SMILES for 4-(3-hydroxypropyl)-2,6-dimethoxyphenol is COc1cc(CCCO)cc(OC)c1O.
What is the InChIKey of 4-(3-hydroxypropyl)-2,6-dimethoxyphenol?
The InChIKey is PHOPGVYKZWPIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3.
What are the key properties of 4-(3-hydroxypropyl)-2,6-dimethoxyphenol?
4-(3-hydroxypropyl)-2,6-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 4-(3-hydroxypropyl)-2,6-dimethoxyphenol is sourced from PubChem (CID 529893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).