2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde

C17H19NO3 — CID 130392111

IUPAC2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde
SMILESCCOc1ccc2cc(N3CCOCC3)ccc2c1C=O
InChIInChI=1S/C17H19NO3/c1-2-21-17-6-3-13-11-14(18-7-9-20-10-8-18)4-5-15(13)16(17)12-19/h3-6,11-12H,2,7-10H2,1H3
InChIKeyNQFNJUNEPHBPCX-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.89
Rot. Bonds4

About 2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde

2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde (PubChem CID 130392111) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde
PubChem CID130392111
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde
SMILESCCOc1ccc2cc(N3CCOCC3)ccc2c1C=O
InChIInChI=1S/C17H19NO3/c1-2-21-17-6-3-13-11-14(18-7-9-20-10-8-18)4-5-15(13)16(17)12-19/h3-6,11-12H,2,7-10H2,1H3
InChIKeyNQFNJUNEPHBPCX-UHFFFAOYSA-N
XLogP2.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde?
The IUPAC name of 2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde (CID 130392111) is 2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde?
The canonical SMILES for 2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde is CCOc1ccc2cc(N3CCOCC3)ccc2c1C=O.
What is the InChIKey of 2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde?
The InChIKey is NQFNJUNEPHBPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-21-17-6-3-13-11-14(18-7-9-20-10-8-18)4-5-15(13)16(17)12-19/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde?
2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde has a molecular weight of 285.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-morpholin-4-ylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 130392111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).