2-hydroxy-3,5-dimethylbenzaldehyde

C9H10O2 — CID 4770245

IUPAC2-hydroxy-3,5-dimethylbenzaldehyde
SMILESCc1cc(C)c(O)c(C=O)c1
InChIInChI=1S/C9H10O2/c1-6-3-7(2)9(11)8(4-6)5-10/h3-5,11H,1-2H3
InChIKeyDSXKMMAQDSAZAC-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.82
Rot. Bonds1

About 2-hydroxy-3,5-dimethylbenzaldehyde

2-hydroxy-3,5-dimethylbenzaldehyde (PubChem CID 4770245) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-hydroxy-3,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3,5-dimethylbenzaldehyde
PubChem CID4770245
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-hydroxy-3,5-dimethylbenzaldehyde
SMILESCc1cc(C)c(O)c(C=O)c1
InChIInChI=1S/C9H10O2/c1-6-3-7(2)9(11)8(4-6)5-10/h3-5,11H,1-2H3
InChIKeyDSXKMMAQDSAZAC-UHFFFAOYSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-hydroxy-3-methylbenzaldehyde
CID 2757016
CID 87540870
CID 87540870
3-ethyl-2-hydroxy-5-methylbenzaldehyde
CID 123167289
2-hydroxy-3-(hydroxyiminomethyl)-5-methylbenzaldehyde
CID 137203329
2-hydroxy-3-methyl-5-propan-2-ylbenzaldehyde
CID 71330905
3,5-dimethylphthalaldehyde
CID 23156924
5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde
CID 129178282
2-acetyl-3,5-dimethylbenzaldehyde
CID 171014762
3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde
CID 71337704
(diaminomethylideneamino)-[(3-formyl-2-hydroxy-5-methylphenyl)methylidene]azanium
CID 140931945
3-[[4,7-bis[(3-formyl-2-hydroxy-5-methylphenyl)methyl]-1,4,7-triazonan-1-yl]methyl]-2-hydroxy-5-methylbenzaldehyde
CID 170744084
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-hydroxy-5-methylbenzaldehyde
CID 136669412

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-dimethylbenzaldehyde?
The IUPAC name of 2-hydroxy-3,5-dimethylbenzaldehyde (CID 4770245) is 2-hydroxy-3,5-dimethylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-3,5-dimethylbenzaldehyde?
The canonical SMILES for 2-hydroxy-3,5-dimethylbenzaldehyde is Cc1cc(C)c(O)c(C=O)c1.
What is the InChIKey of 2-hydroxy-3,5-dimethylbenzaldehyde?
The InChIKey is DSXKMMAQDSAZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-6-3-7(2)9(11)8(4-6)5-10/h3-5,11H,1-2H3.
What are the key properties of 2-hydroxy-3,5-dimethylbenzaldehyde?
2-hydroxy-3,5-dimethylbenzaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-dimethylbenzaldehyde is sourced from PubChem (CID 4770245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).