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

C18H26O3 — CID 66824664

IUPAC1,1'-biphenyl;ethane-1,2-diol;ethoxyethane
SMILESCCOCC.OCCO.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H10O.C2H6O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-4-2;3-1-2-4/h1-10H;3-4H2,1-2H3;3-4H,1-2H2
InChIKeyXJCHECMDWIMJLI-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.37
Rot. Bonds4

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

1,1'-biphenyl;ethane-1,2-diol;ethoxyethane (PubChem CID 66824664) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1,1'-biphenyl;ethane-1,2-diol;ethoxyethane.

Molecular Properties

Compound Name1,1'-biphenyl;ethane-1,2-diol;ethoxyethane
PubChem CID66824664
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1,1'-biphenyl;ethane-1,2-diol;ethoxyethane
SMILESCCOCC.OCCO.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H10O.C2H6O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-4-2;3-1-2-4/h1-10H;3-4H2,1-2H3;3-4H,1-2H2
InChIKeyXJCHECMDWIMJLI-UHFFFAOYSA-N
XLogP3.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.37
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;ethoxyethane?
The IUPAC name of 1,1'-biphenyl;ethane-1,2-diol;ethoxyethane (CID 66824664) is 1,1'-biphenyl;ethane-1,2-diol;ethoxyethane.
What is the SMILES notation for 1,1'-biphenyl;ethane-1,2-diol;ethoxyethane?
The canonical SMILES for 1,1'-biphenyl;ethane-1,2-diol;ethoxyethane is CCOCC.OCCO.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;ethane-1,2-diol;ethoxyethane?
The InChIKey is XJCHECMDWIMJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H10O.C2H6O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-4-2;3-1-2-4/h1-10H;3-4H2,1-2H3;3-4H,1-2H2.
What are the key properties of 1,1'-biphenyl;ethane-1,2-diol;ethoxyethane?
1,1'-biphenyl;ethane-1,2-diol;ethoxyethane has a molecular weight of 290.40 g/mol, XLogP of 3.37, 4 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;ethoxyethane is sourced from PubChem (CID 66824664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).