1-chloro-3-methoxy-5-methylselanylbenzene

C8H9ClOSe — CID 71747988

IUPAC1-chloro-3-methoxy-5-methylselanylbenzene
SMILESCOc1cc(Cl)cc([Se]C)c1
InChIInChI=1S/C8H9ClOSe/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChIKeyYWSCKLSFOKSBGQ-UHFFFAOYSA-N
MW235.57 g/mol
LogP1.73
Rot. Bonds2

About 1-chloro-3-methoxy-5-methylselanylbenzene

1-chloro-3-methoxy-5-methylselanylbenzene (PubChem CID 71747988) has the molecular formula C8H9ClOSe and a molecular weight of 235.57 g/mol. Its IUPAC name is 1-chloro-3-methoxy-5-methylselanylbenzene.

Molecular Properties

Compound Name1-chloro-3-methoxy-5-methylselanylbenzene
PubChem CID71747988
Molecular FormulaC8H9ClOSe
Molecular Weight235.57 g/mol
Exact Mass235.95
IUPAC Name1-chloro-3-methoxy-5-methylselanylbenzene
SMILESCOc1cc(Cl)cc([Se]C)c1
InChIInChI=1S/C8H9ClOSe/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChIKeyYWSCKLSFOKSBGQ-UHFFFAOYSA-N
XLogP1.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.57
LogP ≤ 51.73
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

1-chloro-3-methoxy-5-methylsulfanylbenzene
CID 91881045
(3-chloro-5-methoxyphenyl)-trifluoroboranuide
CID 75487777
(3-chloro-5-methoxyphenyl)methanamine
CID 51063718
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
1,3,5-tris(methylselanyl)benzene
CID 173133111
1-chloro-3-methoxy-5-(sulfanyloxymethyl)benzene
CID 143475817
magnesium bis(3-chloro-5-methoxybenzoate)
CID 160501066
phosphane;1,3,5-trimethoxybenzene
CID 175232895
1-(3-chloro-5-methoxyphenoxy)propan-2-amine
CID 141019725
3-(3-chloro-5-methoxyphenyl)propan-1-ol
CID 117289609
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 60965946

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methoxy-5-methylselanylbenzene?
The IUPAC name of 1-chloro-3-methoxy-5-methylselanylbenzene (CID 71747988) is 1-chloro-3-methoxy-5-methylselanylbenzene.
What is the SMILES notation for 1-chloro-3-methoxy-5-methylselanylbenzene?
The canonical SMILES for 1-chloro-3-methoxy-5-methylselanylbenzene is COc1cc(Cl)cc([Se]C)c1.
What is the InChIKey of 1-chloro-3-methoxy-5-methylselanylbenzene?
The InChIKey is YWSCKLSFOKSBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClOSe/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3.
What are the key properties of 1-chloro-3-methoxy-5-methylselanylbenzene?
1-chloro-3-methoxy-5-methylselanylbenzene has a molecular weight of 235.57 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methoxy-5-methylselanylbenzene is sourced from PubChem (CID 71747988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).