methyl 2-methyl-3,3-diphenylpropanoate

C17H18O2 — CID 14089584

IUPACmethyl 2-methyl-3,3-diphenylpropanoate
SMILESCOC(=O)C(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-13(17(18)19-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKeyYSWUQIOWGNMXQX-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.63
Rot. Bonds4

About methyl 2-methyl-3,3-diphenylpropanoate

methyl 2-methyl-3,3-diphenylpropanoate (PubChem CID 14089584) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 2-methyl-3,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3,3-diphenylpropanoate
PubChem CID14089584
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Namemethyl 2-methyl-3,3-diphenylpropanoate
SMILESCOC(=O)C(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-13(17(18)19-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKeyYSWUQIOWGNMXQX-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methyl 2-methyl-3-phenylbutanoate
CID 161408482
methyl (2S,3R)-3-fluoro-2-methyl-3-phenylpropanoate
CID 12617133
methyl (2S,3S)-3-fluoro-2-methyl-3-phenylpropanoate
CID 23234221
methyl 3-hydroxy-2-methyl-5-phenylhexanoate
CID 62394189
methyl (2R,3S)-3-anilino-2-methyl-3-phenylpropanoate
CID 11780569
methyl (2S,3R)-3-acetamido-2-methyl-3-phenylpropanoate
CID 101468384
methyl (2R,3R)-3-(methoxycarbonylamino)-2-methyl-3-phenylpropanoate
CID 14027268
methyl 2-deuterio-2-phenylpropanoate
CID 11984149
methyl 3-methyl-4-oxo-2-phenylpentanoate
CID 101419627
methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate
CID 146351173
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
methyl 2-hydroxy-3-phenylbutanoate
CID 14023743

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3,3-diphenylpropanoate?
The IUPAC name of methyl 2-methyl-3,3-diphenylpropanoate (CID 14089584) is methyl 2-methyl-3,3-diphenylpropanoate.
What is the SMILES notation for methyl 2-methyl-3,3-diphenylpropanoate?
The canonical SMILES for methyl 2-methyl-3,3-diphenylpropanoate is COC(=O)C(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-methyl-3,3-diphenylpropanoate?
The InChIKey is YSWUQIOWGNMXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13(17(18)19-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3.
What are the key properties of methyl 2-methyl-3,3-diphenylpropanoate?
methyl 2-methyl-3,3-diphenylpropanoate has a molecular weight of 254.33 g/mol, XLogP of 3.63, 4 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-diphenylpropanoate is sourced from PubChem (CID 14089584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).