5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol

C10H14O4 — CID 102196644

IUPAC5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol
SMILESCOc1c(CO)cc(O)c(C)c1OC
InChIInChI=1S/C10H14O4/c1-6-8(12)4-7(5-11)10(14-3)9(6)13-2/h4,11-12H,5H2,1-3H3
InChIKeyHQXICJFIQDIGFE-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.21
Rot. Bonds3

About 5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol

5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol (PubChem CID 102196644) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol.

Molecular Properties

Compound Name5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol
PubChem CID102196644
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol
SMILESCOc1c(CO)cc(O)c(C)c1OC
InChIInChI=1S/C10H14O4/c1-6-8(12)4-7(5-11)10(14-3)9(6)13-2/h4,11-12H,5H2,1-3H3
InChIKeyHQXICJFIQDIGFE-UHFFFAOYSA-N
XLogP1.21
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(hydroxymethyl)-3-methoxy-4-methylbenzene-1,2-diol
CID 91826699
(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol
CID 84682296
(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
CID 84710424
6-(hydroxymethyl)-3-methoxy-2,4-dimethylphenol
CID 84768719
5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol
CID 87355604
[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol
CID 154087943
3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol
CID 87901219
(4-chloro-2-methoxy-3,5-dimethylphenyl)methanol
CID 84669757
5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol
CID 170989943
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682
5-(hydroxymethyl)-4-methylbenzene-1,2,3-triol
CID 123599997
[3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol
CID 11847802

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol?
The IUPAC name of 5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol (CID 102196644) is 5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol.
What is the SMILES notation for 5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol?
The canonical SMILES for 5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol is COc1c(CO)cc(O)c(C)c1OC.
What is the InChIKey of 5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol?
The InChIKey is HQXICJFIQDIGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6-8(12)4-7(5-11)10(14-3)9(6)13-2/h4,11-12H,5H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol?
5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol has a molecular weight of 198.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol is sourced from PubChem (CID 102196644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).