1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate

C24H24O4 — CID 174703430

IUPAC1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
SMILESCCOC(=O)c1ccc(C(=O)OCC)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H14O4.C12H10/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h5-8H,3-4H2,1-2H3;1-10H
InChIKeyVWZJKZJIXGOTQP-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.39
Rot. Bonds5

About 1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate

1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate (PubChem CID 174703430) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate.

Molecular Properties

Compound Name1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
PubChem CID174703430
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
SMILESCCOC(=O)c1ccc(C(=O)OCC)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H14O4.C12H10/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h5-8H,3-4H2,1-2H3;1-10H
InChIKeyVWZJKZJIXGOTQP-UHFFFAOYSA-N
XLogP5.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate?
The IUPAC name of 1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate (CID 174703430) is 1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate.
What is the SMILES notation for 1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate?
The canonical SMILES for 1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate is CCOC(=O)c1ccc(C(=O)OCC)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate?
The InChIKey is VWZJKZJIXGOTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4.C12H10/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h5-8H,3-4H2,1-2H3;1-10H.
What are the key properties of 1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate?
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate has a molecular weight of 376.45 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate is sourced from PubChem (CID 174703430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).