4-(3-chloroselenophen-2-yl)-2-methylphenol

C11H9ClOSe — CID 175473113

IUPAC4-(3-chloroselenophen-2-yl)-2-methylphenol
SMILESCc1cc(-c2[se]ccc2Cl)ccc1O
InChIInChI=1S/C11H9ClOSe/c1-7-6-8(2-3-10(7)13)11-9(12)4-5-14-11/h2-6,13H,1H3
InChIKeyLFMGRQUDKWISCR-UHFFFAOYSA-N
MW271.61 g/mol
LogP3.08
Rot. Bonds1

About 4-(3-chloroselenophen-2-yl)-2-methylphenol

4-(3-chloroselenophen-2-yl)-2-methylphenol (PubChem CID 175473113) has the molecular formula C11H9ClOSe and a molecular weight of 271.61 g/mol. Its IUPAC name is 4-(3-chloroselenophen-2-yl)-2-methylphenol.

Molecular Properties

Compound Name4-(3-chloroselenophen-2-yl)-2-methylphenol
PubChem CID175473113
Molecular FormulaC11H9ClOSe
Molecular Weight271.61 g/mol
Exact Mass271.95
IUPAC Name4-(3-chloroselenophen-2-yl)-2-methylphenol
SMILESCc1cc(-c2[se]ccc2Cl)ccc1O
InChIInChI=1S/C11H9ClOSe/c1-7-6-8(2-3-10(7)13)11-9(12)4-5-14-11/h2-6,13H,1H3
InChIKeyLFMGRQUDKWISCR-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.61
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroselenophen-2-yl)-2-methylphenol?
The IUPAC name of 4-(3-chloroselenophen-2-yl)-2-methylphenol (CID 175473113) is 4-(3-chloroselenophen-2-yl)-2-methylphenol.
What is the SMILES notation for 4-(3-chloroselenophen-2-yl)-2-methylphenol?
The canonical SMILES for 4-(3-chloroselenophen-2-yl)-2-methylphenol is Cc1cc(-c2[se]ccc2Cl)ccc1O.
What is the InChIKey of 4-(3-chloroselenophen-2-yl)-2-methylphenol?
The InChIKey is LFMGRQUDKWISCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClOSe/c1-7-6-8(2-3-10(7)13)11-9(12)4-5-14-11/h2-6,13H,1H3.
What are the key properties of 4-(3-chloroselenophen-2-yl)-2-methylphenol?
4-(3-chloroselenophen-2-yl)-2-methylphenol has a molecular weight of 271.61 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroselenophen-2-yl)-2-methylphenol is sourced from PubChem (CID 175473113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).