4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol

C18H16O2Se — CID 141425246

IUPAC4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1ccc(-c2ccc(O)cc2C)[se]1
InChIInChI=1S/C18H16O2Se/c1-11-9-13(19)3-5-15(11)17-7-8-18(21-17)16-6-4-14(20)10-12(16)2/h3-10,19-20H,1-2H3
InChIKeyQIJUOHNGBIOBHP-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.11
Rot. Bonds2

About 4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol

4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol (PubChem CID 141425246) has the molecular formula C18H16O2Se and a molecular weight of 343.28 g/mol. Its IUPAC name is 4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol
PubChem CID141425246
Molecular FormulaC18H16O2Se
Molecular Weight343.28 g/mol
Exact Mass344.03
IUPAC Name4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1ccc(-c2ccc(O)cc2C)[se]1
InChIInChI=1S/C18H16O2Se/c1-11-9-13(19)3-5-15(11)17-7-8-18(21-17)16-6-4-14(20)10-12(16)2/h3-10,19-20H,1-2H3
InChIKeyQIJUOHNGBIOBHP-UHFFFAOYSA-N
XLogP4.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol?
The IUPAC name of 4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol (CID 141425246) is 4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol.
What is the SMILES notation for 4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol?
The canonical SMILES for 4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol is Cc1cc(O)ccc1-c1ccc(-c2ccc(O)cc2C)[se]1.
What is the InChIKey of 4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol?
The InChIKey is QIJUOHNGBIOBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2Se/c1-11-9-13(19)3-5-15(11)17-7-8-18(21-17)16-6-4-14(20)10-12(16)2/h3-10,19-20H,1-2H3.
What are the key properties of 4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol?
4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol has a molecular weight of 343.28 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol is sourced from PubChem (CID 141425246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).