1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene

C12H10O2 — CID 138396150

IUPAC1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene
SMILES[2H]Oc1ccccc1-c1ccccc1O[2H]
InChIInChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H/i/hD2
InChIKeyIMHDGJOMLMDPJN-ZSJDYOACSA-N
MW188.22 g/mol
LogP2.76
Rot. Bonds3

About 1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene

1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene (PubChem CID 138396150) has the molecular formula C12H10O2 and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene.

Molecular Properties

Compound Name1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene
PubChem CID138396150
Molecular FormulaC12H10O2
Molecular Weight188.22 g/mol
Exact Mass188.08
IUPAC Name1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene
SMILES[2H]Oc1ccccc1-c1ccccc1O[2H]
InChIInChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H/i/hD2
InChIKeyIMHDGJOMLMDPJN-ZSJDYOACSA-N
XLogP2.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene?
The IUPAC name of 1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene (CID 138396150) is 1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene.
What is the SMILES notation for 1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene?
The canonical SMILES for 1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene is [2H]Oc1ccccc1-c1ccccc1O[2H].
What is the InChIKey of 1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene?
The InChIKey is IMHDGJOMLMDPJN-ZSJDYOACSA-N. The full InChI is InChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H/i/hD2.
What are the key properties of 1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene?
1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene has a molecular weight of 188.22 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuteriooxy-2-(2-deuteriooxyphenyl)benzene is sourced from PubChem (CID 138396150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).