4-hydroxy-3,5-dimethoxybenzaldehyde

C9H10O4 — CID 8655

IUPAC4-hydroxy-3,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(OC)c1O
InChIInChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3
InChIKeyKCDXJAYRVLXPFO-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.22
Rot. Bonds3

About 4-hydroxy-3,5-dimethoxybenzaldehyde

4-hydroxy-3,5-dimethoxybenzaldehyde (PubChem CID 8655) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethoxybenzaldehyde
PubChem CID8655
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name4-hydroxy-3,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(OC)c1O
InChIInChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3
InChIKeyKCDXJAYRVLXPFO-UHFFFAOYSA-N
XLogP1.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Vanillin
CID 1183
Propyl Gallate
CID 4947
Vanillic Acid
CID 8468
Ethylvanillin
CID 8467
Octyl Gallate
CID 61253
Acetovanillone
CID 2214
Syringic Acid
CID 10742
Dodecyl Gallate
CID 14425
Homovanillic Acid
CID 1738
Veratric Acid
CID 7121
2,4,5-Trimethoxybenzaldehyde
CID 20525
Calycosin
CID 5280448

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethoxybenzaldehyde?
The IUPAC name of 4-hydroxy-3,5-dimethoxybenzaldehyde (CID 8655) is 4-hydroxy-3,5-dimethoxybenzaldehyde.
What is the SMILES notation for 4-hydroxy-3,5-dimethoxybenzaldehyde?
The canonical SMILES for 4-hydroxy-3,5-dimethoxybenzaldehyde is COc1cc(C=O)cc(OC)c1O.
What is the InChIKey of 4-hydroxy-3,5-dimethoxybenzaldehyde?
The InChIKey is KCDXJAYRVLXPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3.
What are the key properties of 4-hydroxy-3,5-dimethoxybenzaldehyde?
4-hydroxy-3,5-dimethoxybenzaldehyde has a molecular weight of 182.17 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethoxybenzaldehyde is sourced from PubChem (CID 8655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).