1,1'-biphenyl;ethane-1,2-diol;methoxymethane

C16H22O3 — CID 67053670

IUPAC1,1'-biphenyl;ethane-1,2-diol;methoxymethane
SMILESCOC.OCCO.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H6O2.C2H6O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1-2-4;1-3-2/h1-10H;3-4H,1-2H2;1-2H3
InChIKeyQDWHCWFDOIDNEL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.59
Rot. Bonds2

About 1,1'-biphenyl;ethane-1,2-diol;methoxymethane

1,1'-biphenyl;ethane-1,2-diol;methoxymethane (PubChem CID 67053670) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1,1'-biphenyl;ethane-1,2-diol;methoxymethane.

Molecular Properties

Compound Name1,1'-biphenyl;ethane-1,2-diol;methoxymethane
PubChem CID67053670
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1,1'-biphenyl;ethane-1,2-diol;methoxymethane
SMILESCOC.OCCO.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H6O2.C2H6O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1-2-4;1-3-2/h1-10H;3-4H,1-2H2;1-2H3
InChIKeyQDWHCWFDOIDNEL-UHFFFAOYSA-N
XLogP2.59
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;ethane-1,2-diol;methoxymethane?
The IUPAC name of 1,1'-biphenyl;ethane-1,2-diol;methoxymethane (CID 67053670) is 1,1'-biphenyl;ethane-1,2-diol;methoxymethane.
What is the SMILES notation for 1,1'-biphenyl;ethane-1,2-diol;methoxymethane?
The canonical SMILES for 1,1'-biphenyl;ethane-1,2-diol;methoxymethane is COC.OCCO.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;ethane-1,2-diol;methoxymethane?
The InChIKey is QDWHCWFDOIDNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C2H6O2.C2H6O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1-2-4;1-3-2/h1-10H;3-4H,1-2H2;1-2H3.
What are the key properties of 1,1'-biphenyl;ethane-1,2-diol;methoxymethane?
1,1'-biphenyl;ethane-1,2-diol;methoxymethane has a molecular weight of 262.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;ethane-1,2-diol;methoxymethane is sourced from PubChem (CID 67053670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).