ethyl 3-(2-methylphenyl)benzoate

C32H32O4 — CID 161279352

IUPACethyl 3-(2-methylphenyl)benzoate
SMILESCCOC(=O)c1cccc(-c2ccccc2C)c1.CCOC(=O)c1cccc(-c2ccccc2C)c1
InChIInChI=1S/2C16H16O2/c2*1-3-18-16(17)14-9-6-8-13(11-14)15-10-5-4-7-12(15)2/h2*4-11H,3H2,1-2H3
InChIKeyVEWHFAUYQWDPKH-UHFFFAOYSA-N
MW480.60 g/mol
LogP7.68
Rot. Bonds6

About ethyl 3-(2-methylphenyl)benzoate

ethyl 3-(2-methylphenyl)benzoate (PubChem CID 161279352) has the molecular formula C32H32O4 and a molecular weight of 480.60 g/mol. Its IUPAC name is ethyl 3-(2-methylphenyl)benzoate.

Molecular Properties

Compound Nameethyl 3-(2-methylphenyl)benzoate
PubChem CID161279352
Molecular FormulaC32H32O4
Molecular Weight480.60 g/mol
Exact Mass480.23
IUPAC Nameethyl 3-(2-methylphenyl)benzoate
SMILESCCOC(=O)c1cccc(-c2ccccc2C)c1.CCOC(=O)c1cccc(-c2ccccc2C)c1
InChIInChI=1S/2C16H16O2/c2*1-3-18-16(17)14-9-6-8-13(11-14)15-10-5-4-7-12(15)2/h2*4-11H,3H2,1-2H3
InChIKeyVEWHFAUYQWDPKH-UHFFFAOYSA-N
XLogP7.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethane;ethylbenzene;ethyl 3-[2-(5-chloro-2-methylphenyl)phenyl]benzoate
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ethyl 3-(4-ethoxycarbonylphenyl)benzoate
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ethyl 3-[2-amino-3-(methylamino)phenyl]benzoate
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ethyl 3-(3,4-diaminophenyl)benzoate
CID 154094188
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CID 86249615
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylphenyl)benzoate?
The IUPAC name of ethyl 3-(2-methylphenyl)benzoate (CID 161279352) is ethyl 3-(2-methylphenyl)benzoate.
What is the SMILES notation for ethyl 3-(2-methylphenyl)benzoate?
The canonical SMILES for ethyl 3-(2-methylphenyl)benzoate is CCOC(=O)c1cccc(-c2ccccc2C)c1.CCOC(=O)c1cccc(-c2ccccc2C)c1.
What is the InChIKey of ethyl 3-(2-methylphenyl)benzoate?
The InChIKey is VEWHFAUYQWDPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16O2/c2*1-3-18-16(17)14-9-6-8-13(11-14)15-10-5-4-7-12(15)2/h2*4-11H,3H2,1-2H3.
What are the key properties of ethyl 3-(2-methylphenyl)benzoate?
ethyl 3-(2-methylphenyl)benzoate has a molecular weight of 480.60 g/mol, XLogP of 7.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylphenyl)benzoate is sourced from PubChem (CID 161279352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).