2-(2-ethoxyphenyl)morpholine-4-carbaldehyde

C13H17NO3 — CID 87254384

IUPAC2-(2-ethoxyphenyl)morpholine-4-carbaldehyde
SMILESCCOc1ccccc1C1CN(C=O)CCO1
InChIInChI=1S/C13H17NO3/c1-2-16-12-6-4-3-5-11(12)13-9-14(10-15)7-8-17-13/h3-6,10,13H,2,7-9H2,1H3
InChIKeyFTZRACMQPYCULD-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.62
Rot. Bonds4

About 2-(2-ethoxyphenyl)morpholine-4-carbaldehyde

2-(2-ethoxyphenyl)morpholine-4-carbaldehyde (PubChem CID 87254384) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)morpholine-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)morpholine-4-carbaldehyde
PubChem CID87254384
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(2-ethoxyphenyl)morpholine-4-carbaldehyde
SMILESCCOc1ccccc1C1CN(C=O)CCO1
InChIInChI=1S/C13H17NO3/c1-2-16-12-6-4-3-5-11(12)13-9-14(10-15)7-8-17-13/h3-6,10,13H,2,7-9H2,1H3
InChIKeyFTZRACMQPYCULD-UHFFFAOYSA-N
XLogP1.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-ethoxyphenyl)morpholine-4-carbaldehyde?
The IUPAC name of 2-(2-ethoxyphenyl)morpholine-4-carbaldehyde (CID 87254384) is 2-(2-ethoxyphenyl)morpholine-4-carbaldehyde.
What is the SMILES notation for 2-(2-ethoxyphenyl)morpholine-4-carbaldehyde?
The canonical SMILES for 2-(2-ethoxyphenyl)morpholine-4-carbaldehyde is CCOc1ccccc1C1CN(C=O)CCO1.
What is the InChIKey of 2-(2-ethoxyphenyl)morpholine-4-carbaldehyde?
The InChIKey is FTZRACMQPYCULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-16-12-6-4-3-5-11(12)13-9-14(10-15)7-8-17-13/h3-6,10,13H,2,7-9H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)morpholine-4-carbaldehyde?
2-(2-ethoxyphenyl)morpholine-4-carbaldehyde has a molecular weight of 235.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)morpholine-4-carbaldehyde is sourced from PubChem (CID 87254384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).