2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde

C11H14O4 — CID 10798490

IUPAC2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde
SMILESCOc1c(C)c(C)c(OC)c(C=O)c1O
InChIInChI=1S/C11H14O4/c1-6-7(2)11(15-4)9(13)8(5-12)10(6)14-3/h5,13H,1-4H3
InChIKeyHZXNZBJGLGOPEB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.84
Rot. Bonds3

About 2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde

2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde (PubChem CID 10798490) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde
PubChem CID10798490
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde
SMILESCOc1c(C)c(C)c(OC)c(C=O)c1O
InChIInChI=1S/C11H14O4/c1-6-7(2)11(15-4)9(13)8(5-12)10(6)14-3/h5,13H,1-4H3
InChIKeyHZXNZBJGLGOPEB-UHFFFAOYSA-N
XLogP1.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.84
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

2,3,6-trimethoxy-4,5-dimethylbenzaldehyde
CID 10775498
2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 11097704
N-(3-formyl-4-hydroxy-5-methoxy-2,6-dimethylphenyl)acetamide
CID 84798473
2-fluoro-4,5-dihydroxy-3-methoxy-6-methylbenzaldehyde
CID 170993665
2,5-dihydroxy-6-methoxy-4-methyl-3-(3-methylbut-2-enyl)benzaldehyde
CID 91249519
4-methoxy-2,5,6-trimethylbenzene-1,3-diol
CID 154393157
3,4-dihydroxy-2-methoxy-6-methylbenzaldehyde
CID 38359105
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
2-bromo-3,5,6-trimethoxy-4-methylbenzaldehyde
CID 11403516
5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde
CID 19901298
4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde
CID 88634868
2,4,6-trimethoxybenzene-1,3,5-triol
CID 102382483

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde?
The IUPAC name of 2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde (CID 10798490) is 2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde?
The canonical SMILES for 2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde is COc1c(C)c(C)c(OC)c(C=O)c1O.
What is the InChIKey of 2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde?
The InChIKey is HZXNZBJGLGOPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-6-7(2)11(15-4)9(13)8(5-12)10(6)14-3/h5,13H,1-4H3.
What are the key properties of 2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde?
2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde has a molecular weight of 210.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde is sourced from PubChem (CID 10798490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).