2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde

C10H12O4 — CID 150672330

IUPAC2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde
SMILESCOCc1cc(C)c(O)c(O)c1C=O
InChIInChI=1S/C10H12O4/c1-6-3-7(5-14-2)8(4-11)10(13)9(6)12/h3-4,12-13H,5H2,1-2H3
InChIKeyJGDDQHFGWISXFA-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.37
Rot. Bonds3

About 2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde

2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde (PubChem CID 150672330) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde.

Molecular Properties

Compound Name2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde
PubChem CID150672330
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde
SMILESCOCc1cc(C)c(O)c(O)c1C=O
InChIInChI=1S/C10H12O4/c1-6-3-7(5-14-2)8(4-11)10(13)9(6)12/h3-4,12-13H,5H2,1-2H3
InChIKeyJGDDQHFGWISXFA-UHFFFAOYSA-N
XLogP1.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-4-methyl-6-(3-methylbutoxymethyl)benzaldehyde
CID 139404378
7-(methoxymethyl)-5-methyl-2,3-dihydro-1H-inden-4-ol
CID 121008460
5-methoxy-3-(methoxymethyl)phthalaldehyde
CID 86118704
7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one
CID 146683418
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113
3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol
CID 58599740
2-[5-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]-2-hydroxy-3-(2-oxoethyl)phenyl]acetaldehyde
CID 137470495
4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde
CID 170290856
2,4-bis(methoxymethyl)-5-methylphenol
CID 176835467
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815
4-[1-(3,5-diethyl-4-hydroxyphenyl)-2,2-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]-2,6-diethylphenol
CID 118593438
2,4-bis(methoxymethyl)-6-propan-2-ylphenol
CID 141487661

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde?
The IUPAC name of 2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde (CID 150672330) is 2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde.
What is the SMILES notation for 2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde?
The canonical SMILES for 2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde is COCc1cc(C)c(O)c(O)c1C=O.
What is the InChIKey of 2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde?
The InChIKey is JGDDQHFGWISXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-6-3-7(5-14-2)8(4-11)10(13)9(6)12/h3-4,12-13H,5H2,1-2H3.
What are the key properties of 2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde?
2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde has a molecular weight of 196.20 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde is sourced from PubChem (CID 150672330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).