1,1'-biphenyl;ethanol;2-phenylphenol

C26H26O2 — CID 90025475

IUPAC1,1'-biphenyl;ethanol;2-phenylphenol
SMILESCCO.Oc1ccccc1-c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10O.C12H10.C2H6O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3/h1-9,13H;1-10H;3H,2H2,1H3
InChIKeyNZEWYBCDMNKFIJ-UHFFFAOYSA-N
MW370.49 g/mol
LogP6.41
Rot. Bonds2

About 1,1'-biphenyl;ethanol;2-phenylphenol

1,1'-biphenyl;ethanol;2-phenylphenol (PubChem CID 90025475) has the molecular formula C26H26O2 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1,1'-biphenyl;ethanol;2-phenylphenol.

Molecular Properties

Compound Name1,1'-biphenyl;ethanol;2-phenylphenol
PubChem CID90025475
Molecular FormulaC26H26O2
Molecular Weight370.49 g/mol
Exact Mass370.19
IUPAC Name1,1'-biphenyl;ethanol;2-phenylphenol
SMILESCCO.Oc1ccccc1-c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10O.C12H10.C2H6O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3/h1-9,13H;1-10H;3H,2H2,1H3
InChIKeyNZEWYBCDMNKFIJ-UHFFFAOYSA-N
XLogP6.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;ethanol;2-phenylphenol?
The IUPAC name of 1,1'-biphenyl;ethanol;2-phenylphenol (CID 90025475) is 1,1'-biphenyl;ethanol;2-phenylphenol.
What is the SMILES notation for 1,1'-biphenyl;ethanol;2-phenylphenol?
The canonical SMILES for 1,1'-biphenyl;ethanol;2-phenylphenol is CCO.Oc1ccccc1-c1ccccc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;ethanol;2-phenylphenol?
The InChIKey is NZEWYBCDMNKFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C12H10.C2H6O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3/h1-9,13H;1-10H;3H,2H2,1H3.
What are the key properties of 1,1'-biphenyl;ethanol;2-phenylphenol?
1,1'-biphenyl;ethanol;2-phenylphenol has a molecular weight of 370.49 g/mol, XLogP of 6.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;ethanol;2-phenylphenol is sourced from PubChem (CID 90025475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).