4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol

C10H14O4 — CID 59700313

IUPAC4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol
SMILESCCOC(O)c1ccc(O)c(CO)c1
InChIInChI=1S/C10H14O4/c1-2-14-10(13)7-3-4-9(12)8(5-7)6-11/h3-5,10-13H,2,6H2,1H3
InChIKeyHSTFODWGMWFPBQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.91
Rot. Bonds4

About 4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol

4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol (PubChem CID 59700313) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol
PubChem CID59700313
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol
SMILESCCOC(O)c1ccc(O)c(CO)c1
InChIInChI=1S/C10H14O4/c1-2-14-10(13)7-3-4-9(12)8(5-7)6-11/h3-5,10-13H,2,6H2,1H3
InChIKeyHSTFODWGMWFPBQ-UHFFFAOYSA-N
XLogP0.91
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol 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

4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol
CID 83920884
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;ethanol
CID 174929036
3-bromo-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propane-1,2-diol
CID 171859840
1-[4-hydroxy-3-(hydroxymethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171857811
CID 177016985
CID 177016985
3-[4-hydroxy-3-(hydroxymethyl)phenyl]pentanoic acid
CID 83949673
4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol
CID 58173642
4-[1-hydroxy-2-(6-methoxyhexylamino)ethyl]-2-(hydroxymethyl)phenol
CID 20739121
(3-bromophenyl)-ethoxymethanol
CID 142187361
4-hept-1-yn-4-yl-2-(hydroxymethyl)phenol
CID 83920854
2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol
CID 23391465
4-[2-amino-1-hydroxy-4-(methylamino)butyl]-2-(hydroxymethyl)phenol
CID 83920807

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol?
The IUPAC name of 4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol (CID 59700313) is 4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol.
What is the SMILES notation for 4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol?
The canonical SMILES for 4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol is CCOC(O)c1ccc(O)c(CO)c1.
What is the InChIKey of 4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol?
The InChIKey is HSTFODWGMWFPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-2-14-10(13)7-3-4-9(12)8(5-7)6-11/h3-5,10-13H,2,6H2,1H3.
What are the key properties of 4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol?
4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol has a molecular weight of 198.22 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol is sourced from PubChem (CID 59700313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).