2-hydroxy-3,5-dimethoxybenzaldehyde

C9H10O4 — CID 7172046

IUPAC2-hydroxy-3,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(O)c(OC)c1
InChIInChI=1S/C9H10O4/c1-12-7-3-6(5-10)9(11)8(4-7)13-2/h3-5,11H,1-2H3
InChIKeyRZKNKVRCIXKLBQ-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.22
Rot. Bonds3

About 2-hydroxy-3,5-dimethoxybenzaldehyde

2-hydroxy-3,5-dimethoxybenzaldehyde (PubChem CID 7172046) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-hydroxy-3,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3,5-dimethoxybenzaldehyde
PubChem CID7172046
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name2-hydroxy-3,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(O)c(OC)c1
InChIInChI=1S/C9H10O4/c1-12-7-3-6(5-10)9(11)8(4-7)13-2/h3-5,11H,1-2H3
InChIKeyRZKNKVRCIXKLBQ-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

5-ethoxy-2-hydroxy-3-methoxybenzaldehyde
CID 134891933
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
5-amino-2-hydroxy-3-methoxybenzaldehyde
CID 155701195
5-[2-(3-formyl-4-hydroxy-5-methoxyphenyl)ethyl]-2-hydroxy-3-methoxybenzaldehyde
CID 87078799
CID 89013330
CID 89013330
2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde
CID 89289969
2-hydroxy-3-methoxy-5-propylbenzaldehyde
CID 14315769
5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599763
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde
CID 154377571
2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 168590530
5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde
CID 169476016

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-dimethoxybenzaldehyde?
The IUPAC name of 2-hydroxy-3,5-dimethoxybenzaldehyde (CID 7172046) is 2-hydroxy-3,5-dimethoxybenzaldehyde.
What is the SMILES notation for 2-hydroxy-3,5-dimethoxybenzaldehyde?
The canonical SMILES for 2-hydroxy-3,5-dimethoxybenzaldehyde is COc1cc(C=O)c(O)c(OC)c1.
What is the InChIKey of 2-hydroxy-3,5-dimethoxybenzaldehyde?
The InChIKey is RZKNKVRCIXKLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-12-7-3-6(5-10)9(11)8(4-7)13-2/h3-5,11H,1-2H3.
What are the key properties of 2-hydroxy-3,5-dimethoxybenzaldehyde?
2-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 2-hydroxy-3,5-dimethoxybenzaldehyde is sourced from PubChem (CID 7172046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).