ethyl 2-ethyl-3-(2-phenylethyl)benzoate

C19H22O2 — CID 118039726

IUPACethyl 2-ethyl-3-(2-phenylethyl)benzoate
SMILESCCOC(=O)c1cccc(CCc2ccccc2)c1CC
InChIInChI=1S/C19H22O2/c1-3-17-16(14-13-15-9-6-5-7-10-15)11-8-12-18(17)19(20)21-4-2/h5-12H,3-4,13-14H2,1-2H3
InChIKeySOXHABSGSMYNOX-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.21
Rot. Bonds6

About ethyl 2-ethyl-3-(2-phenylethyl)benzoate

ethyl 2-ethyl-3-(2-phenylethyl)benzoate (PubChem CID 118039726) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl 2-ethyl-3-(2-phenylethyl)benzoate.

Molecular Properties

Compound Nameethyl 2-ethyl-3-(2-phenylethyl)benzoate
PubChem CID118039726
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Nameethyl 2-ethyl-3-(2-phenylethyl)benzoate
SMILESCCOC(=O)c1cccc(CCc2ccccc2)c1CC
InChIInChI=1S/C19H22O2/c1-3-17-16(14-13-15-9-6-5-7-10-15)11-8-12-18(17)19(20)21-4-2/h5-12H,3-4,13-14H2,1-2H3
InChIKeySOXHABSGSMYNOX-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 2-(2-phenylethyl)benzoate
CID 59701000
2-ethylbenzoic acid;ethyl 2-methylbenzoate
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ethyl 2-amino-3-propylbenzoate
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1,3-diethyl-2-(2-phenylethyl)benzene
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2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate
CID 26543
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate
CID 23825338
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CID 134642602
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CID 14674220

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-3-(2-phenylethyl)benzoate?
The IUPAC name of ethyl 2-ethyl-3-(2-phenylethyl)benzoate (CID 118039726) is ethyl 2-ethyl-3-(2-phenylethyl)benzoate.
What is the SMILES notation for ethyl 2-ethyl-3-(2-phenylethyl)benzoate?
The canonical SMILES for ethyl 2-ethyl-3-(2-phenylethyl)benzoate is CCOC(=O)c1cccc(CCc2ccccc2)c1CC.
What is the InChIKey of ethyl 2-ethyl-3-(2-phenylethyl)benzoate?
The InChIKey is SOXHABSGSMYNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-3-17-16(14-13-15-9-6-5-7-10-15)11-8-12-18(17)19(20)21-4-2/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of ethyl 2-ethyl-3-(2-phenylethyl)benzoate?
ethyl 2-ethyl-3-(2-phenylethyl)benzoate has a molecular weight of 282.38 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-3-(2-phenylethyl)benzoate is sourced from PubChem (CID 118039726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).