3-hydroxy-4-methoxybenzaldehyde

C8H8O3 — CID 12127

IUPAC3-hydroxy-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1O
InChIInChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
InChIKeyJVTZFYYHCGSXJV-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.21
Rot. Bonds2

About 3-hydroxy-4-methoxybenzaldehyde

3-hydroxy-4-methoxybenzaldehyde (PubChem CID 12127) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-hydroxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-hydroxy-4-methoxybenzaldehyde
PubChem CID12127
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name3-hydroxy-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1O
InChIInChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
InChIKeyJVTZFYYHCGSXJV-UHFFFAOYSA-N
XLogP1.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.21
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-hydroxy-4-methoxybenzaldehyde?
The IUPAC name of 3-hydroxy-4-methoxybenzaldehyde (CID 12127) is 3-hydroxy-4-methoxybenzaldehyde.
What is the SMILES notation for 3-hydroxy-4-methoxybenzaldehyde?
The canonical SMILES for 3-hydroxy-4-methoxybenzaldehyde is COc1ccc(C=O)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxybenzaldehyde?
The InChIKey is JVTZFYYHCGSXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3.
What are the key properties of 3-hydroxy-4-methoxybenzaldehyde?
3-hydroxy-4-methoxybenzaldehyde has a molecular weight of 152.15 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxybenzaldehyde is sourced from PubChem (CID 12127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).