methyl 2-(4-phenylphenyl)propanoate

C16H16O2 — CID 10911650

IUPACmethyl 2-(4-phenylphenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-12(16(17)18-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeySVAIHUDRBSNKFR-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.63
Rot. Bonds3

About methyl 2-(4-phenylphenyl)propanoate

methyl 2-(4-phenylphenyl)propanoate (PubChem CID 10911650) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 2-(4-phenylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-phenylphenyl)propanoate
PubChem CID10911650
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namemethyl 2-(4-phenylphenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-12(16(17)18-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeySVAIHUDRBSNKFR-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-phenylphenyl)propanoate?
The IUPAC name of methyl 2-(4-phenylphenyl)propanoate (CID 10911650) is methyl 2-(4-phenylphenyl)propanoate.
What is the SMILES notation for methyl 2-(4-phenylphenyl)propanoate?
The canonical SMILES for methyl 2-(4-phenylphenyl)propanoate is COC(=O)C(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 2-(4-phenylphenyl)propanoate?
The InChIKey is SVAIHUDRBSNKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12(16(17)18-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of methyl 2-(4-phenylphenyl)propanoate?
methyl 2-(4-phenylphenyl)propanoate has a molecular weight of 240.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-phenylphenyl)propanoate is sourced from PubChem (CID 10911650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).