4-ethoxybenzaldehyde

C9H10O2 — CID 24834

IUPAC4-ethoxybenzaldehyde
SMILESCCOc1ccc(C=O)cc1
InChIInChI=1S/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3
InChIKeyJRHHJNMASOIRDS-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.90
Rot. Bonds3

About 4-ethoxybenzaldehyde

4-ethoxybenzaldehyde (PubChem CID 24834) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-ethoxybenzaldehyde.

Molecular Properties

Compound Name4-ethoxybenzaldehyde
PubChem CID24834
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name4-ethoxybenzaldehyde
SMILESCCOc1ccc(C=O)cc1
InChIInChI=1S/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3
InChIKeyJRHHJNMASOIRDS-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
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 4-ethoxybenzaldehyde?
The IUPAC name of 4-ethoxybenzaldehyde (CID 24834) is 4-ethoxybenzaldehyde.
What is the SMILES notation for 4-ethoxybenzaldehyde?
The canonical SMILES for 4-ethoxybenzaldehyde is CCOc1ccc(C=O)cc1.
What is the InChIKey of 4-ethoxybenzaldehyde?
The InChIKey is JRHHJNMASOIRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3.
What are the key properties of 4-ethoxybenzaldehyde?
4-ethoxybenzaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybenzaldehyde is sourced from PubChem (CID 24834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).