2-hydroxy-3-methylbenzaldehyde

C8H8O2 — CID 522777

IUPAC2-hydroxy-3-methylbenzaldehyde
SMILESCc1cccc(C=O)c1O
InChIInChI=1S/C8H8O2/c1-6-3-2-4-7(5-9)8(6)10/h2-5,10H,1H3
InChIKeyIPPQNXSAJZOTJZ-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.51
Rot. Bonds1

About 2-hydroxy-3-methylbenzaldehyde

2-hydroxy-3-methylbenzaldehyde (PubChem CID 522777) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-hydroxy-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methylbenzaldehyde
PubChem CID522777
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name2-hydroxy-3-methylbenzaldehyde
SMILESCc1cccc(C=O)c1O
InChIInChI=1S/C8H8O2/c1-6-3-2-4-7(5-9)8(6)10/h2-5,10H,1H3
InChIKeyIPPQNXSAJZOTJZ-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.51
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

Salicylic Acid
CID 338
Methyl Salicylate
CID 4133
Salicylaldehyde
CID 6998
3-Methylsalicylic Acid
CID 6738
2'-Hydroxyacetophenone
CID 8375
Ethyl Salicylate
CID 8365
Butyl salicylate
CID 16330
2'-Hydroxychalcone
CID 638276
Hexyl Salicylate
CID 22629
3,5-Di-tert-butyl-4-hydroxybenzaldehyde
CID 73219
Isobutyl salicylate
CID 6873
Amyl Salicylate
CID 16299

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylbenzaldehyde?
The IUPAC name of 2-hydroxy-3-methylbenzaldehyde (CID 522777) is 2-hydroxy-3-methylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methylbenzaldehyde?
The canonical SMILES for 2-hydroxy-3-methylbenzaldehyde is Cc1cccc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methylbenzaldehyde?
The InChIKey is IPPQNXSAJZOTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-6-3-2-4-7(5-9)8(6)10/h2-5,10H,1H3.
What are the key properties of 2-hydroxy-3-methylbenzaldehyde?
2-hydroxy-3-methylbenzaldehyde has a molecular weight of 136.15 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylbenzaldehyde is sourced from PubChem (CID 522777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).