1,1'-biphenyl;ethanol;ethoxyethane

C18H26O2 — CID 70401504

IUPAC1,1'-biphenyl;ethanol;ethoxyethane
SMILESCCO.CCOCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H10O.C2H6O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-4-2;1-2-3/h1-10H;3-4H2,1-2H3;3H,2H2,1H3
InChIKeyPUDJCAXEZUEBSP-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.39
Rot. Bonds3

About 1,1'-biphenyl;ethanol;ethoxyethane

1,1'-biphenyl;ethanol;ethoxyethane (PubChem CID 70401504) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1,1'-biphenyl;ethanol;ethoxyethane.

Molecular Properties

Compound Name1,1'-biphenyl;ethanol;ethoxyethane
PubChem CID70401504
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1,1'-biphenyl;ethanol;ethoxyethane
SMILESCCO.CCOCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H10O.C2H6O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-4-2;1-2-3/h1-10H;3-4H2,1-2H3;3H,2H2,1H3
InChIKeyPUDJCAXEZUEBSP-UHFFFAOYSA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;ethanol;ethoxyethane?
The IUPAC name of 1,1'-biphenyl;ethanol;ethoxyethane (CID 70401504) is 1,1'-biphenyl;ethanol;ethoxyethane.
What is the SMILES notation for 1,1'-biphenyl;ethanol;ethoxyethane?
The canonical SMILES for 1,1'-biphenyl;ethanol;ethoxyethane is CCO.CCOCC.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;ethanol;ethoxyethane?
The InChIKey is PUDJCAXEZUEBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H10O.C2H6O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-4-2;1-2-3/h1-10H;3-4H2,1-2H3;3H,2H2,1H3.
What are the key properties of 1,1'-biphenyl;ethanol;ethoxyethane?
1,1'-biphenyl;ethanol;ethoxyethane has a molecular weight of 274.40 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;ethanol;ethoxyethane is sourced from PubChem (CID 70401504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).