3-hydroxybenzaldehyde;methoxymethane

C9H12O3 — CID 163225851

IUPAC3-hydroxybenzaldehyde;methoxymethane
SMILESCOC.O=Cc1cccc(O)c1
InChIInChI=1S/C7H6O2.C2H6O/c8-5-6-2-1-3-7(9)4-6;1-3-2/h1-5,9H;1-2H3
InChIKeyZUKHZZWAHVJGHP-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.47
Rot. Bonds1

About 3-hydroxybenzaldehyde;methoxymethane

3-hydroxybenzaldehyde;methoxymethane (PubChem CID 163225851) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 3-hydroxybenzaldehyde;methoxymethane.

Molecular Properties

Compound Name3-hydroxybenzaldehyde;methoxymethane
PubChem CID163225851
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name3-hydroxybenzaldehyde;methoxymethane
SMILESCOC.O=Cc1cccc(O)c1
InChIInChI=1S/C7H6O2.C2H6O/c8-5-6-2-1-3-7(9)4-6;1-3-2/h1-5,9H;1-2H3
InChIKeyZUKHZZWAHVJGHP-UHFFFAOYSA-N
XLogP1.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxybenzaldehyde;methoxymethane?
The IUPAC name of 3-hydroxybenzaldehyde;methoxymethane (CID 163225851) is 3-hydroxybenzaldehyde;methoxymethane.
What is the SMILES notation for 3-hydroxybenzaldehyde;methoxymethane?
The canonical SMILES for 3-hydroxybenzaldehyde;methoxymethane is COC.O=Cc1cccc(O)c1.
What is the InChIKey of 3-hydroxybenzaldehyde;methoxymethane?
The InChIKey is ZUKHZZWAHVJGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C2H6O/c8-5-6-2-1-3-7(9)4-6;1-3-2/h1-5,9H;1-2H3.
What are the key properties of 3-hydroxybenzaldehyde;methoxymethane?
3-hydroxybenzaldehyde;methoxymethane has a molecular weight of 168.19 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybenzaldehyde;methoxymethane is sourced from PubChem (CID 163225851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).