6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde

C18H14O2Se — CID 101486690

IUPAC6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde
SMILESCOc1ccc2c(C=O)cc([Se]c3ccccc3)cc2c1
InChIInChI=1S/C18H14O2Se/c1-20-15-7-8-18-13(9-15)10-17(11-14(18)12-19)21-16-5-3-2-4-6-16/h2-12H,1H3
InChIKeyRWEJDQHLOXGDRG-UHFFFAOYSA-N
MW341.27 g/mol
LogP2.32
Rot. Bonds4

About 6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde

6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde (PubChem CID 101486690) has the molecular formula C18H14O2Se and a molecular weight of 341.27 g/mol. Its IUPAC name is 6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde
PubChem CID101486690
Molecular FormulaC18H14O2Se
Molecular Weight341.27 g/mol
Exact Mass342.02
IUPAC Name6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde
SMILESCOc1ccc2c(C=O)cc([Se]c3ccccc3)cc2c1
InChIInChI=1S/C18H14O2Se/c1-20-15-7-8-18-13(9-15)10-17(11-14(18)12-19)21-16-5-3-2-4-6-16/h2-12H,1H3
InChIKeyRWEJDQHLOXGDRG-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-methoxychrysene-5-carbaldehyde
CID 25194479
6-methoxy-2-phenylquinoline-3-carbaldehyde
CID 833679
5-methoxy-2-phenanthren-1-ylbenzaldehyde
CID 101454325
1-methoxy-4-[(E)-2-phenylselanylethenyl]benzene
CID 6288583
1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde
CID 167713797
3-cyclopropyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde
CID 142686334
3-hydroxy-6-methoxynaphthalene-2-carbaldehyde
CID 130034455
2-[dimethyl(phenyl)silyl]-5-methoxybenzaldehyde
CID 101491081
3-butyl-6-methoxy-2-phenylnaphthalene-1-carbaldehyde
CID 142686312
1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde
CID 165389450
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde?
The IUPAC name of 6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde (CID 101486690) is 6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde?
The canonical SMILES for 6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde is COc1ccc2c(C=O)cc([Se]c3ccccc3)cc2c1.
What is the InChIKey of 6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde?
The InChIKey is RWEJDQHLOXGDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2Se/c1-20-15-7-8-18-13(9-15)10-17(11-14(18)12-19)21-16-5-3-2-4-6-16/h2-12H,1H3.
What are the key properties of 6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde?
6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde has a molecular weight of 341.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 101486690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).