5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol

C11H16O4 — CID 71658647

IUPAC5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol
SMILESCOCc1c(CO)cc(O)c(C)c1OC
InChIInChI=1S/C11H16O4/c1-7-10(13)4-8(5-12)9(6-14-2)11(7)15-3/h4,12-13H,5-6H2,1-3H3
InChIKeyOKKBKEHOMIHCRX-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.35
Rot. Bonds4

About 5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol

5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol (PubChem CID 71658647) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol
PubChem CID71658647
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol
SMILESCOCc1c(CO)cc(O)c(C)c1OC
InChIInChI=1S/C11H16O4/c1-7-10(13)4-8(5-12)9(6-14-2)11(7)15-3/h4,12-13H,5-6H2,1-3H3
InChIKeyOKKBKEHOMIHCRX-UHFFFAOYSA-N
XLogP1.35
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol?
The IUPAC name of 5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol (CID 71658647) is 5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol.
What is the SMILES notation for 5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol?
The canonical SMILES for 5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol is COCc1c(CO)cc(O)c(C)c1OC.
What is the InChIKey of 5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol?
The InChIKey is OKKBKEHOMIHCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7-10(13)4-8(5-12)9(6-14-2)11(7)15-3/h4,12-13H,5-6H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol?
5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol has a molecular weight of 212.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol is sourced from PubChem (CID 71658647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).