methyl 4-(3-phenylphenyl)benzoate

C20H16O2 — CID 10902285

IUPACmethyl 4-(3-phenylphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H16O2/c1-22-20(21)17-12-10-16(11-13-17)19-9-5-8-18(14-19)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyNXWBPIVYSGQADZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.81
Rot. Bonds3

About methyl 4-(3-phenylphenyl)benzoate

methyl 4-(3-phenylphenyl)benzoate (PubChem CID 10902285) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 4-(3-phenylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-phenylphenyl)benzoate
PubChem CID10902285
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Namemethyl 4-(3-phenylphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H16O2/c1-22-20(21)17-12-10-16(11-13-17)19-9-5-8-18(14-19)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyNXWBPIVYSGQADZ-UHFFFAOYSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-phenylphenyl)benzoate?
The IUPAC name of methyl 4-(3-phenylphenyl)benzoate (CID 10902285) is methyl 4-(3-phenylphenyl)benzoate.
What is the SMILES notation for methyl 4-(3-phenylphenyl)benzoate?
The canonical SMILES for methyl 4-(3-phenylphenyl)benzoate is COC(=O)c1ccc(-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of methyl 4-(3-phenylphenyl)benzoate?
The InChIKey is NXWBPIVYSGQADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-22-20(21)17-12-10-16(11-13-17)19-9-5-8-18(14-19)15-6-3-2-4-7-15/h2-14H,1H3.
What are the key properties of methyl 4-(3-phenylphenyl)benzoate?
methyl 4-(3-phenylphenyl)benzoate has a molecular weight of 288.35 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-phenylphenyl)benzoate is sourced from PubChem (CID 10902285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).