formaldehyde;2,3,4-tris(hydroxymethyl)phenol

C10H14O5 — CID 20553274

IUPACformaldehyde;2,3,4-tris(hydroxymethyl)phenol
SMILESC=O.OCc1ccc(O)c(CO)c1CO
InChIInChI=1S/C9H12O4.CH2O/c10-3-6-1-2-9(13)8(5-12)7(6)4-11;1-2/h1-2,10-13H,3-5H2;1H2
InChIKeyVTAAYRUXVDARRC-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.32
Rot. Bonds3

About formaldehyde;2,3,4-tris(hydroxymethyl)phenol

formaldehyde;2,3,4-tris(hydroxymethyl)phenol (PubChem CID 20553274) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is formaldehyde;2,3,4-tris(hydroxymethyl)phenol.

Molecular Properties

Compound Nameformaldehyde;2,3,4-tris(hydroxymethyl)phenol
PubChem CID20553274
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Nameformaldehyde;2,3,4-tris(hydroxymethyl)phenol
SMILESC=O.OCc1ccc(O)c(CO)c1CO
InChIInChI=1S/C9H12O4.CH2O/c10-3-6-1-2-9(13)8(5-12)7(6)4-11;1-2/h1-2,10-13H,3-5H2;1H2
InChIKeyVTAAYRUXVDARRC-UHFFFAOYSA-N
XLogP-0.32
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;2,3,4-tris(hydroxymethyl)phenol?
The IUPAC name of formaldehyde;2,3,4-tris(hydroxymethyl)phenol (CID 20553274) is formaldehyde;2,3,4-tris(hydroxymethyl)phenol.
What is the SMILES notation for formaldehyde;2,3,4-tris(hydroxymethyl)phenol?
The canonical SMILES for formaldehyde;2,3,4-tris(hydroxymethyl)phenol is C=O.OCc1ccc(O)c(CO)c1CO.
What is the InChIKey of formaldehyde;2,3,4-tris(hydroxymethyl)phenol?
The InChIKey is VTAAYRUXVDARRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4.CH2O/c10-3-6-1-2-9(13)8(5-12)7(6)4-11;1-2/h1-2,10-13H,3-5H2;1H2.
What are the key properties of formaldehyde;2,3,4-tris(hydroxymethyl)phenol?
formaldehyde;2,3,4-tris(hydroxymethyl)phenol has a molecular weight of 214.22 g/mol, XLogP of -0.32, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2,3,4-tris(hydroxymethyl)phenol is sourced from PubChem (CID 20553274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).