2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol

C20H20O2Se — CID 135009848

IUPAC2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol
SMILESCOc1ccc(-c2cc(C(C)(C)O)[se]c2-c2ccccc2)cc1
InChIInChI=1S/C20H20O2Se/c1-20(2,21)18-13-17(14-9-11-16(22-3)12-10-14)19(23-18)15-7-5-4-6-8-15/h4-13,21H,1-3H3
InChIKeyZMSPJPOTQLGHFC-UHFFFAOYSA-N
MW371.34 g/mol
LogP4.31
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol

2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol (PubChem CID 135009848) has the molecular formula C20H20O2Se and a molecular weight of 371.34 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol
PubChem CID135009848
Molecular FormulaC20H20O2Se
Molecular Weight371.34 g/mol
Exact Mass372.06
IUPAC Name2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol
SMILESCOc1ccc(-c2cc(C(C)(C)O)[se]c2-c2ccccc2)cc1
InChIInChI=1S/C20H20O2Se/c1-20(2,21)18-13-17(14-9-11-16(22-3)12-10-14)19(23-18)15-7-5-4-6-8-15/h4-13,21H,1-3H3
InChIKeyZMSPJPOTQLGHFC-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
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 2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol?
The IUPAC name of 2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol (CID 135009848) is 2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol is COc1ccc(-c2cc(C(C)(C)O)[se]c2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol?
The InChIKey is ZMSPJPOTQLGHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2Se/c1-20(2,21)18-13-17(14-9-11-16(22-3)12-10-14)19(23-18)15-7-5-4-6-8-15/h4-13,21H,1-3H3.
What are the key properties of 2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol?
2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol has a molecular weight of 371.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol is sourced from PubChem (CID 135009848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).