2-[(4-methoxyphenyl)methylselanyl]acetaldehyde

C10H12O2Se — CID 71494657

IUPAC2-[(4-methoxyphenyl)methylselanyl]acetaldehyde
SMILESCOc1ccc(C[Se]CC=O)cc1
InChIInChI=1S/C10H12O2Se/c1-12-10-4-2-9(3-5-10)8-13-7-6-11/h2-6H,7-8H2,1H3
InChIKeyRXENSEJMZKYXTE-UHFFFAOYSA-N
MW243.16 g/mol
LogP1.52
Rot. Bonds5

About 2-[(4-methoxyphenyl)methylselanyl]acetaldehyde

2-[(4-methoxyphenyl)methylselanyl]acetaldehyde (PubChem CID 71494657) has the molecular formula C10H12O2Se and a molecular weight of 243.16 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylselanyl]acetaldehyde.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylselanyl]acetaldehyde
PubChem CID71494657
Molecular FormulaC10H12O2Se
Molecular Weight243.16 g/mol
Exact Mass244.00
IUPAC Name2-[(4-methoxyphenyl)methylselanyl]acetaldehyde
SMILESCOc1ccc(C[Se]CC=O)cc1
InChIInChI=1S/C10H12O2Se/c1-12-10-4-2-9(3-5-10)8-13-7-6-11/h2-6H,7-8H2,1H3
InChIKeyRXENSEJMZKYXTE-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanal
CID 10082931
2,2-difluoro-3-(4-methoxyphenyl)propanal
CID 54572596
4-(4-methoxyphenyl)-3-methylbutanal
CID 19846631
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
formyl 3-(4-methoxyphenyl)propanoate
CID 174628635
1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde
CID 87373658
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
(3S)-3-hydroxy-3-(4-methoxyphenyl)butanal
CID 97030756
3,3-difluoro-3-(4-methoxyphenyl)propanal
CID 105452631
1-(1-deuterioprop-2-enyl)-4-methoxybenzene
CID 131851779

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylselanyl]acetaldehyde?
The IUPAC name of 2-[(4-methoxyphenyl)methylselanyl]acetaldehyde (CID 71494657) is 2-[(4-methoxyphenyl)methylselanyl]acetaldehyde.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylselanyl]acetaldehyde?
The canonical SMILES for 2-[(4-methoxyphenyl)methylselanyl]acetaldehyde is COc1ccc(C[Se]CC=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylselanyl]acetaldehyde?
The InChIKey is RXENSEJMZKYXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2Se/c1-12-10-4-2-9(3-5-10)8-13-7-6-11/h2-6H,7-8H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methylselanyl]acetaldehyde?
2-[(4-methoxyphenyl)methylselanyl]acetaldehyde has a molecular weight of 243.16 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylselanyl]acetaldehyde is sourced from PubChem (CID 71494657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).