methyl 2-methyl-3,3-diphenylprop-2-enoate

C17H16O2 — CID 12886697

IUPACmethyl 2-methyl-3,3-diphenylprop-2-enoate
SMILESCOC(=O)C(C)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(17(18)19-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyARGBHFNAVTWPAM-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.68
Rot. Bonds3

About methyl 2-methyl-3,3-diphenylprop-2-enoate

methyl 2-methyl-3,3-diphenylprop-2-enoate (PubChem CID 12886697) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 2-methyl-3,3-diphenylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-3,3-diphenylprop-2-enoate
PubChem CID12886697
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namemethyl 2-methyl-3,3-diphenylprop-2-enoate
SMILESCOC(=O)C(C)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(17(18)19-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyARGBHFNAVTWPAM-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3,3-diphenylprop-2-enoate?
The IUPAC name of methyl 2-methyl-3,3-diphenylprop-2-enoate (CID 12886697) is methyl 2-methyl-3,3-diphenylprop-2-enoate.
What is the SMILES notation for methyl 2-methyl-3,3-diphenylprop-2-enoate?
The canonical SMILES for methyl 2-methyl-3,3-diphenylprop-2-enoate is COC(=O)C(C)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-methyl-3,3-diphenylprop-2-enoate?
The InChIKey is ARGBHFNAVTWPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-13(17(18)19-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3.
What are the key properties of methyl 2-methyl-3,3-diphenylprop-2-enoate?
methyl 2-methyl-3,3-diphenylprop-2-enoate has a molecular weight of 252.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3,3-diphenylprop-2-enoate is sourced from PubChem (CID 12886697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).