5-ethyl-2-hydroxybenzaldehyde

C9H10O2 — CID 6429811

IUPAC5-ethyl-2-hydroxybenzaldehyde
SMILESCCc1ccc(O)c(C=O)c1
InChIInChI=1S/C9H10O2/c1-2-7-3-4-9(11)8(5-7)6-10/h3-6,11H,2H2,1H3
InChIKeyXSTCLZHMZASDDK-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.77
Rot. Bonds2

About 5-ethyl-2-hydroxybenzaldehyde

5-ethyl-2-hydroxybenzaldehyde (PubChem CID 6429811) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 5-ethyl-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-ethyl-2-hydroxybenzaldehyde
PubChem CID6429811
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name5-ethyl-2-hydroxybenzaldehyde
SMILESCCc1ccc(O)c(C=O)c1
InChIInChI=1S/C9H10O2/c1-2-7-3-4-9(11)8(5-7)6-10/h3-6,11H,2H2,1H3
InChIKeyXSTCLZHMZASDDK-UHFFFAOYSA-N
XLogP1.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.77
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 5-ethyl-2-hydroxybenzaldehyde?
The IUPAC name of 5-ethyl-2-hydroxybenzaldehyde (CID 6429811) is 5-ethyl-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-ethyl-2-hydroxybenzaldehyde?
The canonical SMILES for 5-ethyl-2-hydroxybenzaldehyde is CCc1ccc(O)c(C=O)c1.
What is the InChIKey of 5-ethyl-2-hydroxybenzaldehyde?
The InChIKey is XSTCLZHMZASDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-7-3-4-9(11)8(5-7)6-10/h3-6,11H,2H2,1H3.
What are the key properties of 5-ethyl-2-hydroxybenzaldehyde?
5-ethyl-2-hydroxybenzaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-hydroxybenzaldehyde is sourced from PubChem (CID 6429811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).