4-hydroxy-3-methoxybenzaldehyde

C8H8O3 — CID 1183

IUPAC4-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1O
InChIInChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKeyMWOOGOJBHIARFG-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.21
Rot. Bonds2

About 4-hydroxy-3-methoxybenzaldehyde

4-hydroxy-3-methoxybenzaldehyde (PubChem CID 1183) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-methoxybenzaldehyde
PubChem CID1183
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name4-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1O
InChIInChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKeyMWOOGOJBHIARFG-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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Related Compounds

Ferulic Acid
CID 445858
Vanillic Acid
CID 8468
3,4-Dihydroxybenzaldehyde
CID 8768
Ethylvanillin
CID 8467
Acetovanillone
CID 2214
Syringic Acid
CID 10742
Homovanillic Acid
CID 1738
Veratric Acid
CID 7121
Piperonal
CID 8438
Zingerone
CID 31211
Coniferaldehyde
CID 5280536
4-Methoxybenzaldehyde
CID 31244

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 4-hydroxy-3-methoxybenzaldehyde (CID 1183) is 4-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 4-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 4-hydroxy-3-methoxybenzaldehyde is COc1cc(C=O)ccc1O.
What is the InChIKey of 4-hydroxy-3-methoxybenzaldehyde?
The InChIKey is MWOOGOJBHIARFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3.
What are the key properties of 4-hydroxy-3-methoxybenzaldehyde?
4-hydroxy-3-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 4-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 1183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).