1-chloro-2-(4-methoxyphenyl)selanylbenzene

C13H11ClOSe — CID 102522970

IUPAC1-chloro-2-(4-methoxyphenyl)selanylbenzene
SMILESCOc1ccc([Se]c2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClOSe/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-9H,1H3
InChIKeyULMBCMGVVUERNO-UHFFFAOYSA-N
MW297.64 g/mol
LogP2.00
Rot. Bonds3

About 1-chloro-2-(4-methoxyphenyl)selanylbenzene

1-chloro-2-(4-methoxyphenyl)selanylbenzene (PubChem CID 102522970) has the molecular formula C13H11ClOSe and a molecular weight of 297.64 g/mol. Its IUPAC name is 1-chloro-2-(4-methoxyphenyl)selanylbenzene.

Molecular Properties

Compound Name1-chloro-2-(4-methoxyphenyl)selanylbenzene
PubChem CID102522970
Molecular FormulaC13H11ClOSe
Molecular Weight297.64 g/mol
Exact Mass297.97
IUPAC Name1-chloro-2-(4-methoxyphenyl)selanylbenzene
SMILESCOc1ccc([Se]c2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClOSe/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-9H,1H3
InChIKeyULMBCMGVVUERNO-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.64
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)selanylbenzonitrile
CID 132525672
1-(4-methoxyphenyl)selanyl-8-methylnaphthalene
CID 101182425
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
anisole;1,4-dichlorobenzene
CID 175517246
1,2-dimethoxy-4,5-bis(phenylselanyl)benzene
CID 15257774
bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate
CID 175536149
1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene
CID 177181155
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-(bromomethylselanyl)-4-methoxybenzene
CID 15584664
N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline
CID 20734414
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64619722
3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline
CID 110455038

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-methoxyphenyl)selanylbenzene?
The IUPAC name of 1-chloro-2-(4-methoxyphenyl)selanylbenzene (CID 102522970) is 1-chloro-2-(4-methoxyphenyl)selanylbenzene.
What is the SMILES notation for 1-chloro-2-(4-methoxyphenyl)selanylbenzene?
The canonical SMILES for 1-chloro-2-(4-methoxyphenyl)selanylbenzene is COc1ccc([Se]c2ccccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-(4-methoxyphenyl)selanylbenzene?
The InChIKey is ULMBCMGVVUERNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOSe/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-9H,1H3.
What are the key properties of 1-chloro-2-(4-methoxyphenyl)selanylbenzene?
1-chloro-2-(4-methoxyphenyl)selanylbenzene has a molecular weight of 297.64 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-methoxyphenyl)selanylbenzene is sourced from PubChem (CID 102522970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).