3-methoxy-2-methylselanylbenzaldehyde

C9H10O2Se — CID 140629309

IUPAC3-methoxy-2-methylselanylbenzaldehyde
SMILESCOc1cccc(C=O)c1[Se]C
InChIInChI=1S/C9H10O2Se/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-6H,1-2H3
InChIKeyUFDDLVZFSSRWTN-UHFFFAOYSA-N
MW229.14 g/mol
LogP0.89
Rot. Bonds3

About 3-methoxy-2-methylselanylbenzaldehyde

3-methoxy-2-methylselanylbenzaldehyde (PubChem CID 140629309) has the molecular formula C9H10O2Se and a molecular weight of 229.14 g/mol. Its IUPAC name is 3-methoxy-2-methylselanylbenzaldehyde.

Molecular Properties

Compound Name3-methoxy-2-methylselanylbenzaldehyde
PubChem CID140629309
Molecular FormulaC9H10O2Se
Molecular Weight229.14 g/mol
Exact Mass229.98
IUPAC Name3-methoxy-2-methylselanylbenzaldehyde
SMILESCOc1cccc(C=O)c1[Se]C
InChIInChI=1S/C9H10O2Se/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-6H,1-2H3
InChIKeyUFDDLVZFSSRWTN-UHFFFAOYSA-N
XLogP0.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.14
LogP ≤ 50.89
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

2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
2-ethenyl-3-methoxybenzaldehyde
CID 10487197
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419
methyl 2-formyl-6-methoxybenzoate
CID 12730360
3-methoxy-2-(trifluoromethyl)benzaldehyde
CID 73012639
2-(2-formylphenoxy)-6-methoxybenzaldehyde
CID 102334226
2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylselanylbenzaldehyde?
The IUPAC name of 3-methoxy-2-methylselanylbenzaldehyde (CID 140629309) is 3-methoxy-2-methylselanylbenzaldehyde.
What is the SMILES notation for 3-methoxy-2-methylselanylbenzaldehyde?
The canonical SMILES for 3-methoxy-2-methylselanylbenzaldehyde is COc1cccc(C=O)c1[Se]C.
What is the InChIKey of 3-methoxy-2-methylselanylbenzaldehyde?
The InChIKey is UFDDLVZFSSRWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2Se/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-6H,1-2H3.
What are the key properties of 3-methoxy-2-methylselanylbenzaldehyde?
3-methoxy-2-methylselanylbenzaldehyde has a molecular weight of 229.14 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylselanylbenzaldehyde is sourced from PubChem (CID 140629309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).