2-hydroxy-3,6-dimethylbenzaldehyde

C9H10O2 — CID 819297

IUPAC2-hydroxy-3,6-dimethylbenzaldehyde
SMILESCc1ccc(C)c(C=O)c1O
InChIInChI=1S/C9H10O2/c1-6-3-4-7(2)9(11)8(6)5-10/h3-5,11H,1-2H3
InChIKeyWTHUWXPBPNTSHJ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.82
Rot. Bonds1

About 2-hydroxy-3,6-dimethylbenzaldehyde

2-hydroxy-3,6-dimethylbenzaldehyde (PubChem CID 819297) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-hydroxy-3,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3,6-dimethylbenzaldehyde
PubChem CID819297
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-hydroxy-3,6-dimethylbenzaldehyde
SMILESCc1ccc(C)c(C=O)c1O
InChIInChI=1S/C9H10O2/c1-6-3-4-7(2)9(11)8(6)5-10/h3-5,11H,1-2H3
InChIKeyWTHUWXPBPNTSHJ-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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,6-dimethylbenzaldehyde?
The IUPAC name of 2-hydroxy-3,6-dimethylbenzaldehyde (CID 819297) is 2-hydroxy-3,6-dimethylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-3,6-dimethylbenzaldehyde?
The canonical SMILES for 2-hydroxy-3,6-dimethylbenzaldehyde is Cc1ccc(C)c(C=O)c1O.
What is the InChIKey of 2-hydroxy-3,6-dimethylbenzaldehyde?
The InChIKey is WTHUWXPBPNTSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-6-3-4-7(2)9(11)8(6)5-10/h3-5,11H,1-2H3.
What are the key properties of 2-hydroxy-3,6-dimethylbenzaldehyde?
2-hydroxy-3,6-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-3,6-dimethylbenzaldehyde is sourced from PubChem (CID 819297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).