methyl 2-methoxy-3,5-diphenylbenzoate

C21H18O3 — CID 142693331

IUPACmethyl 2-methoxy-3,5-diphenylbenzoate
SMILESCOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)c1OC
InChIInChI=1S/C21H18O3/c1-23-20-18(16-11-7-4-8-12-16)13-17(14-19(20)21(22)24-2)15-9-5-3-6-10-15/h3-14H,1-2H3
InChIKeyICRYWLSFKCRVDE-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.82
Rot. Bonds4

About methyl 2-methoxy-3,5-diphenylbenzoate

methyl 2-methoxy-3,5-diphenylbenzoate (PubChem CID 142693331) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl 2-methoxy-3,5-diphenylbenzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-3,5-diphenylbenzoate
PubChem CID142693331
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Namemethyl 2-methoxy-3,5-diphenylbenzoate
SMILESCOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)c1OC
InChIInChI=1S/C21H18O3/c1-23-20-18(16-11-7-4-8-12-16)13-17(14-19(20)21(22)24-2)15-9-5-3-6-10-15/h3-14H,1-2H3
InChIKeyICRYWLSFKCRVDE-UHFFFAOYSA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-3,5-diphenylbenzoate?
The IUPAC name of methyl 2-methoxy-3,5-diphenylbenzoate (CID 142693331) is methyl 2-methoxy-3,5-diphenylbenzoate.
What is the SMILES notation for methyl 2-methoxy-3,5-diphenylbenzoate?
The canonical SMILES for methyl 2-methoxy-3,5-diphenylbenzoate is COC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)c1OC.
What is the InChIKey of methyl 2-methoxy-3,5-diphenylbenzoate?
The InChIKey is ICRYWLSFKCRVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-23-20-18(16-11-7-4-8-12-16)13-17(14-19(20)21(22)24-2)15-9-5-3-6-10-15/h3-14H,1-2H3.
What are the key properties of methyl 2-methoxy-3,5-diphenylbenzoate?
methyl 2-methoxy-3,5-diphenylbenzoate has a molecular weight of 318.37 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-3,5-diphenylbenzoate is sourced from PubChem (CID 142693331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).