ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate

C19H22O2 — CID 57419846

IUPACethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C19H22O2/c1-4-21-18(20)19(3,14-16-10-6-5-7-11-16)17-12-8-9-15(2)13-17/h5-13H,4,14H2,1-3H3
InChIKeyJKVJMBKAIGBIFR-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.06
Rot. Bonds5

About ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate

ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate (PubChem CID 57419846) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate
PubChem CID57419846
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Nameethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C19H22O2/c1-4-21-18(20)19(3,14-16-10-6-5-7-11-16)17-12-8-9-15(2)13-17/h5-13H,4,14H2,1-3H3
InChIKeyJKVJMBKAIGBIFR-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-hydroxy-2-methyl-2-(3-methylphenyl)butanoate
CID 117049965
ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate
CID 117048127
ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate
CID 117049798
ethyl 3-cyano-2-methyl-2-(3-methylphenyl)propanoate
CID 117049503
ethyl 2-(4-cyanophenyl)-2-methyl-3-phenylpropanoate
CID 117048143
ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate
CID 155818764
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873
2,2-dibenzyl-3-ethoxy-3-oxopropanoic acid
CID 14551025
ethyl 2,2-difluoro-3-hydroxy-3-(3-methylphenyl)butanoate
CID 55071366
2-benzyl-2-ethoxycarbonylpentanoic acid
CID 103973697
ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate
CID 19091445
diethyl 2-ethyl-2-[(3-methylphenyl)methyl]propanedioate
CID 103972968

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate?
The IUPAC name of ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate (CID 57419846) is ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate is CCOC(=O)C(C)(Cc1ccccc1)c1cccc(C)c1.
What is the InChIKey of ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate?
The InChIKey is JKVJMBKAIGBIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-4-21-18(20)19(3,14-16-10-6-5-7-11-16)17-12-8-9-15(2)13-17/h5-13H,4,14H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate?
ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate has a molecular weight of 282.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate is sourced from PubChem (CID 57419846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).