diethyl 2-[(2-phenylphenyl)methyl]hexanedioate

C23H28O4 — CID 15913968

IUPACdiethyl 2-[(2-phenylphenyl)methyl]hexanedioate
SMILESCCOC(=O)CCCC(Cc1ccccc1-c1ccccc1)C(=O)OCC
InChIInChI=1S/C23H28O4/c1-3-26-22(24)16-10-14-20(23(25)27-4-2)17-19-13-8-9-15-21(19)18-11-6-5-7-12-18/h5-9,11-13,15,20H,3-4,10,14,16-17H2,1-2H3
InChIKeyYLCVEZWMZSGEEK-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.81
Rot. Bonds10

About diethyl 2-[(2-phenylphenyl)methyl]hexanedioate

diethyl 2-[(2-phenylphenyl)methyl]hexanedioate (PubChem CID 15913968) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is diethyl 2-[(2-phenylphenyl)methyl]hexanedioate.

Molecular Properties

Compound Namediethyl 2-[(2-phenylphenyl)methyl]hexanedioate
PubChem CID15913968
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Namediethyl 2-[(2-phenylphenyl)methyl]hexanedioate
SMILESCCOC(=O)CCCC(Cc1ccccc1-c1ccccc1)C(=O)OCC
InChIInChI=1S/C23H28O4/c1-3-26-22(24)16-10-14-20(23(25)27-4-2)17-19-13-8-9-15-21(19)18-11-6-5-7-12-18/h5-9,11-13,15,20H,3-4,10,14,16-17H2,1-2H3
InChIKeyYLCVEZWMZSGEEK-UHFFFAOYSA-N
XLogP4.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(2-phenylphenyl)methyl]hexanedioate?
The IUPAC name of diethyl 2-[(2-phenylphenyl)methyl]hexanedioate (CID 15913968) is diethyl 2-[(2-phenylphenyl)methyl]hexanedioate.
What is the SMILES notation for diethyl 2-[(2-phenylphenyl)methyl]hexanedioate?
The canonical SMILES for diethyl 2-[(2-phenylphenyl)methyl]hexanedioate is CCOC(=O)CCCC(Cc1ccccc1-c1ccccc1)C(=O)OCC.
What is the InChIKey of diethyl 2-[(2-phenylphenyl)methyl]hexanedioate?
The InChIKey is YLCVEZWMZSGEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-3-26-22(24)16-10-14-20(23(25)27-4-2)17-19-13-8-9-15-21(19)18-11-6-5-7-12-18/h5-9,11-13,15,20H,3-4,10,14,16-17H2,1-2H3.
What are the key properties of diethyl 2-[(2-phenylphenyl)methyl]hexanedioate?
diethyl 2-[(2-phenylphenyl)methyl]hexanedioate has a molecular weight of 368.47 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(2-phenylphenyl)methyl]hexanedioate is sourced from PubChem (CID 15913968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).