1-deuterio-2-(4-deuteriophenyl)benzene

C12H10 — CID 172864519

IUPAC1-deuterio-2-(4-deuteriophenyl)benzene
SMILES[2H]c1ccc(-c2ccccc2[2H])cc1
InChIInChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H/i1D,9D
InChIKeyZUOUZKKEUPVFJK-BAZCBEOBSA-N
MW156.22 g/mol
LogP3.35
Rot. Bonds1

About 1-deuterio-2-(4-deuteriophenyl)benzene

1-deuterio-2-(4-deuteriophenyl)benzene (PubChem CID 172864519) has the molecular formula C12H10 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-deuterio-2-(4-deuteriophenyl)benzene.

Molecular Properties

Compound Name1-deuterio-2-(4-deuteriophenyl)benzene
PubChem CID172864519
Molecular FormulaC12H10
Molecular Weight156.22 g/mol
Exact Mass156.09
IUPAC Name1-deuterio-2-(4-deuteriophenyl)benzene
SMILES[2H]c1ccc(-c2ccccc2[2H])cc1
InChIInChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H/i1D,9D
InChIKeyZUOUZKKEUPVFJK-BAZCBEOBSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-2-(4-deuteriophenyl)benzene?
The IUPAC name of 1-deuterio-2-(4-deuteriophenyl)benzene (CID 172864519) is 1-deuterio-2-(4-deuteriophenyl)benzene.
What is the SMILES notation for 1-deuterio-2-(4-deuteriophenyl)benzene?
The canonical SMILES for 1-deuterio-2-(4-deuteriophenyl)benzene is [2H]c1ccc(-c2ccccc2[2H])cc1.
What is the InChIKey of 1-deuterio-2-(4-deuteriophenyl)benzene?
The InChIKey is ZUOUZKKEUPVFJK-BAZCBEOBSA-N. The full InChI is InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H/i1D,9D.
What are the key properties of 1-deuterio-2-(4-deuteriophenyl)benzene?
1-deuterio-2-(4-deuteriophenyl)benzene has a molecular weight of 156.22 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-2-(4-deuteriophenyl)benzene is sourced from PubChem (CID 172864519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).