4-(hydroxymethyl)-2,6-dimethoxyphenol

C9H12O4 — CID 10741

IUPAC4-(hydroxymethyl)-2,6-dimethoxyphenol
SMILESCOc1cc(CO)cc(OC)c1O
InChIInChI=1S/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H3
InChIKeyLUOAEJWSKPQLJD-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.90
Rot. Bonds3

About 4-(hydroxymethyl)-2,6-dimethoxyphenol

4-(hydroxymethyl)-2,6-dimethoxyphenol (PubChem CID 10741) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2,6-dimethoxyphenol
PubChem CID10741
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name4-(hydroxymethyl)-2,6-dimethoxyphenol
SMILESCOc1cc(CO)cc(OC)c1O
InChIInChI=1S/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H3
InChIKeyLUOAEJWSKPQLJD-UHFFFAOYSA-N
XLogP0.90
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2,6-dimethoxyphenol?
The IUPAC name of 4-(hydroxymethyl)-2,6-dimethoxyphenol (CID 10741) is 4-(hydroxymethyl)-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(hydroxymethyl)-2,6-dimethoxyphenol?
The canonical SMILES for 4-(hydroxymethyl)-2,6-dimethoxyphenol is COc1cc(CO)cc(OC)c1O.
What is the InChIKey of 4-(hydroxymethyl)-2,6-dimethoxyphenol?
The InChIKey is LUOAEJWSKPQLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2,6-dimethoxyphenol?
4-(hydroxymethyl)-2,6-dimethoxyphenol has a molecular weight of 184.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2,6-dimethoxyphenol is sourced from PubChem (CID 10741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).