ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate

C19H22O3 — CID 140570358

IUPACethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate
SMILESCCOC(=O)C(C)(c1ccccc1)c1cccc(OCC)c1
InChIInChI=1S/C19H22O3/c1-4-21-17-13-9-12-16(14-17)19(3,18(20)22-5-2)15-10-7-6-8-11-15/h6-14H,4-5H2,1-3H3
InChIKeyYTIPAGKRZBDUEW-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.95
Rot. Bonds6

About ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate

ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate (PubChem CID 140570358) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate
PubChem CID140570358
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Nameethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate
SMILESCCOC(=O)C(C)(c1ccccc1)c1cccc(OCC)c1
InChIInChI=1S/C19H22O3/c1-4-21-17-13-9-12-16(14-17)19(3,18(20)22-5-2)15-10-7-6-8-11-15/h6-14H,4-5H2,1-3H3
InChIKeyYTIPAGKRZBDUEW-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenothrin
CID 4767
Fenoprofen
CID 3342
Fenoprofen Calcium
CID 64747
Phenothrin, trans-(-)-
CID 91581
Anisyl phenylacetate
CID 7599
(3-Methoxyphenyl)acetic acid
CID 15719
d-cis-Phenothrin
CID 187827
3-Tolyl phenylacetate
CID 67146
3-(3-methoxyphenyl)-6-methyl-2H-chromen-2-one
CID 44622873
3-Phenoxyphenylacetic acid
CID 141749
4-Benzyloxy-3-methoxyphenylacetic Acid
CID 297964
Ethyl 4-(phenylmethoxy)benzoate
CID 191414

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate?
The IUPAC name of ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate (CID 140570358) is ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate.
What is the SMILES notation for ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate?
The canonical SMILES for ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate is CCOC(=O)C(C)(c1ccccc1)c1cccc(OCC)c1.
What is the InChIKey of ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate?
The InChIKey is YTIPAGKRZBDUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-4-21-17-13-9-12-16(14-17)19(3,18(20)22-5-2)15-10-7-6-8-11-15/h6-14H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate?
ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate has a molecular weight of 298.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate is sourced from PubChem (CID 140570358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).