3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde

C17H18O6 — CID 174683420

IUPAC3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1O.COc1ccc(C=O)cc1OC
InChIInChI=1S/C9H10O3.C8H8O3/c1-11-8-4-3-7(6-10)5-9(8)12-2;1-11-8-4-6(5-9)2-3-7(8)10/h3-6H,1-2H3;2-5,10H,1H3
InChIKeyVLZZSCOOBGCJDL-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.73
Rot. Bonds5

About 3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde

3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde (PubChem CID 174683420) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
PubChem CID174683420
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1O.COc1ccc(C=O)cc1OC
InChIInChI=1S/C9H10O3.C8H8O3/c1-11-8-4-3-7(6-10)5-9(8)12-2;1-11-8-4-6(5-9)2-3-7(8)10/h3-6H,1-2H3;2-5,10H,1H3
InChIKeyVLZZSCOOBGCJDL-UHFFFAOYSA-N
XLogP2.73
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 130345281
CID 130345281
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
4-hydroxy-3-methoxybenzaldehyde;sulfuric acid
CID 174785740
4-hydroxy-3-methoxybenzaldehyde;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 139058422
4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
CID 53442983
furan;4-hydroxy-3-methoxybenzaldehyde
CID 174443799
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol
CID 138752381
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
4-hydroxy-3-methylperoxybenzaldehyde
CID 131965744
4-hydroxy-3-methoxybenzaldehyde;3-methylbutanoic acid
CID 134284747

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde (CID 174683420) is 3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde is COc1cc(C=O)ccc1O.COc1ccc(C=O)cc1OC.
What is the InChIKey of 3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde?
The InChIKey is VLZZSCOOBGCJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C8H8O3/c1-11-8-4-3-7(6-10)5-9(8)12-2;1-11-8-4-6(5-9)2-3-7(8)10/h3-6H,1-2H3;2-5,10H,1H3.
What are the key properties of 3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde?
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde has a molecular weight of 318.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 174683420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).