3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde

C11H14O4 — CID 71337704

IUPAC3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde
SMILESCOC(OC)c1cc(C)cc(C=O)c1O
InChIInChI=1S/C11H14O4/c1-7-4-8(6-12)10(13)9(5-7)11(14-2)15-3/h4-6,11,13H,1-3H3
InChIKeyLRWMXNNCIROYIL-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.80
Rot. Bonds4

About 3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde

3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde (PubChem CID 71337704) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde.

Molecular Properties

Compound Name3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde
PubChem CID71337704
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde
SMILESCOC(OC)c1cc(C)cc(C=O)c1O
InChIInChI=1S/C11H14O4/c1-7-4-8(6-12)10(13)9(5-7)11(14-2)15-3/h4-6,11,13H,1-3H3
InChIKeyLRWMXNNCIROYIL-UHFFFAOYSA-N
XLogP1.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(1S)-1-aminoprop-2-enyl]-2-hydroxy-5-methylbenzaldehyde
CID 87406046
3-(1-amino-2,2,2-trifluoroethyl)-2-hydroxy-5-methylbenzaldehyde
CID 77128276
2-hydroxy-3,5-dimethylbenzaldehyde
CID 4770245
2-hydroxy-3-(hydroxyiminomethyl)-5-methylbenzaldehyde
CID 137203329
CID 87540870
CID 87540870
3-ethyl-2-hydroxy-5-methylbenzaldehyde
CID 123167289
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-hydroxy-5-methylbenzaldehyde
CID 136669412
2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde
CID 136741770
5-(dimethoxymethyl)-2-methylbenzaldehyde
CID 115019768
3-[[4,7-bis[(3-formyl-2-hydroxy-5-methylphenyl)methyl]-1,4,7-triazonan-1-yl]methyl]-2-hydroxy-5-methylbenzaldehyde
CID 170744084
(diaminomethylideneamino)-[(3-formyl-2-hydroxy-5-methylphenyl)methylidene]azanium
CID 140931945
2-hydroxy-3,5-bis(3-methylbutan-2-yl)benzaldehyde
CID 141461166

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde?
The IUPAC name of 3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde (CID 71337704) is 3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde.
What is the SMILES notation for 3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde?
The canonical SMILES for 3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde is COC(OC)c1cc(C)cc(C=O)c1O.
What is the InChIKey of 3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde?
The InChIKey is LRWMXNNCIROYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7-4-8(6-12)10(13)9(5-7)11(14-2)15-3/h4-6,11,13H,1-3H3.
What are the key properties of 3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde?
3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde has a molecular weight of 210.23 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde is sourced from PubChem (CID 71337704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).