2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde

C17H19NO3 — CID 87349603

IUPAC2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde
SMILESCOc1ccc2cc(CC=O)cc(N3CCOCC3)c2c1
InChIInChI=1S/C17H19NO3/c1-20-15-3-2-14-10-13(4-7-19)11-17(16(14)12-15)18-5-8-21-9-6-18/h2-3,7,10-12H,4-6,8-9H2,1H3
InChIKeyMVMDYKAUGGQWKH-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.43
Rot. Bonds4

About 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde

2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde (PubChem CID 87349603) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde
PubChem CID87349603
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde
SMILESCOc1ccc2cc(CC=O)cc(N3CCOCC3)c2c1
InChIInChI=1S/C17H19NO3/c1-20-15-3-2-14-10-13(4-7-19)11-17(16(14)12-15)18-5-8-21-9-6-18/h2-3,7,10-12H,4-6,8-9H2,1H3
InChIKeyMVMDYKAUGGQWKH-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde?
The IUPAC name of 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde (CID 87349603) is 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde?
The canonical SMILES for 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde is COc1ccc2cc(CC=O)cc(N3CCOCC3)c2c1.
What is the InChIKey of 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde?
The InChIKey is MVMDYKAUGGQWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-15-3-2-14-10-13(4-7-19)11-17(16(14)12-15)18-5-8-21-9-6-18/h2-3,7,10-12H,4-6,8-9H2,1H3.
What are the key properties of 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde?
2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde has a molecular weight of 285.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde is sourced from PubChem (CID 87349603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).