1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol

C18H24O3 — CID 68647607

IUPAC1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol
SMILESCCOCCOCCO.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H14O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-8-5-6-9-4-3-7/h1-10H;7H,2-6H2,1H3
InChIKeyKLPSXPWVZVVFAP-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.39
Rot. Bonds7

About 1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol

1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol (PubChem CID 68647607) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol.

Molecular Properties

Compound Name1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol
PubChem CID68647607
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol
SMILESCCOCCOCCO.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H14O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-8-5-6-9-4-3-7/h1-10H;7H,2-6H2,1H3
InChIKeyKLPSXPWVZVVFAP-UHFFFAOYSA-N
XLogP3.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol?
The IUPAC name of 1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol (CID 68647607) is 1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol.
What is the SMILES notation for 1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol?
The canonical SMILES for 1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol is CCOCCOCCO.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol?
The InChIKey is KLPSXPWVZVVFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C6H14O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-8-5-6-9-4-3-7/h1-10H;7H,2-6H2,1H3.
What are the key properties of 1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol?
1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol has a molecular weight of 288.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2-(2-ethoxyethoxy)ethanol is sourced from PubChem (CID 68647607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).