methyl 2-(3,4-diphenylphenyl)propanoate

C22H20O2 — CID 139706154

IUPACmethyl 2-(3,4-diphenylphenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C22H20O2/c1-16(22(23)24-2)19-13-14-20(17-9-5-3-6-10-17)21(15-19)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyYYPXKMUEGLHGOS-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.30
Rot. Bonds4

About methyl 2-(3,4-diphenylphenyl)propanoate

methyl 2-(3,4-diphenylphenyl)propanoate (PubChem CID 139706154) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 2-(3,4-diphenylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3,4-diphenylphenyl)propanoate
PubChem CID139706154
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Namemethyl 2-(3,4-diphenylphenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C22H20O2/c1-16(22(23)24-2)19-13-14-20(17-9-5-3-6-10-17)21(15-19)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyYYPXKMUEGLHGOS-UHFFFAOYSA-N
XLogP5.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-diphenylphenyl)propanoate?
The IUPAC name of methyl 2-(3,4-diphenylphenyl)propanoate (CID 139706154) is methyl 2-(3,4-diphenylphenyl)propanoate.
What is the SMILES notation for methyl 2-(3,4-diphenylphenyl)propanoate?
The canonical SMILES for methyl 2-(3,4-diphenylphenyl)propanoate is COC(=O)C(C)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of methyl 2-(3,4-diphenylphenyl)propanoate?
The InChIKey is YYPXKMUEGLHGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-16(22(23)24-2)19-13-14-20(17-9-5-3-6-10-17)21(15-19)18-11-7-4-8-12-18/h3-16H,1-2H3.
What are the key properties of methyl 2-(3,4-diphenylphenyl)propanoate?
methyl 2-(3,4-diphenylphenyl)propanoate has a molecular weight of 316.40 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-diphenylphenyl)propanoate is sourced from PubChem (CID 139706154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).