2-ethoxybenzaldehyde

C9H10O2 — CID 11950

IUPAC2-ethoxybenzaldehyde
SMILESCCOc1ccccc1C=O
InChIInChI=1S/C9H10O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-7H,2H2,1H3
InChIKeyDUVJMSPTZMCSTQ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.90
Rot. Bonds3

About 2-ethoxybenzaldehyde

2-ethoxybenzaldehyde (PubChem CID 11950) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-ethoxybenzaldehyde.

Molecular Properties

Compound Name2-ethoxybenzaldehyde
PubChem CID11950
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-ethoxybenzaldehyde
SMILESCCOc1ccccc1C=O
InChIInChI=1S/C9H10O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-7H,2H2,1H3
InChIKeyDUVJMSPTZMCSTQ-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 2-ethoxybenzaldehyde?
The IUPAC name of 2-ethoxybenzaldehyde (CID 11950) is 2-ethoxybenzaldehyde.
What is the SMILES notation for 2-ethoxybenzaldehyde?
The canonical SMILES for 2-ethoxybenzaldehyde is CCOc1ccccc1C=O.
What is the InChIKey of 2-ethoxybenzaldehyde?
The InChIKey is DUVJMSPTZMCSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-7H,2H2,1H3.
What are the key properties of 2-ethoxybenzaldehyde?
2-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 2-ethoxybenzaldehyde is sourced from PubChem (CID 11950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).