ethyl 2-(4-methylphenyl)benzoate

C16H16O2 — CID 10922668

IUPACethyl 2-(4-methylphenyl)benzoate
SMILESCCOC(=O)c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C16H16O2/c1-3-18-16(17)15-7-5-4-6-14(15)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3
InChIKeyLNXJXSGTLAYHQS-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.84
Rot. Bonds3

About ethyl 2-(4-methylphenyl)benzoate

ethyl 2-(4-methylphenyl)benzoate (PubChem CID 10922668) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 2-(4-methylphenyl)benzoate.

Molecular Properties

Compound Nameethyl 2-(4-methylphenyl)benzoate
PubChem CID10922668
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Nameethyl 2-(4-methylphenyl)benzoate
SMILESCCOC(=O)c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C16H16O2/c1-3-18-16(17)15-7-5-4-6-14(15)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3
InChIKeyLNXJXSGTLAYHQS-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-(4-methylphenyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 2-(4-propan-2-ylphenyl)benzoate
CID 59820247
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
nonyl 2-(4-methylphenyl)benzoate
CID 90306403
ethyl 2-[4-(methylsulfonyloxymethyl)phenyl]benzoate
CID 21464175
butan-2-yl 2-(4-methylphenyl)benzoate
CID 139650592
diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane
CID 174586707
1-[2-(4-methylphenyl)phenyl]propan-1-one
CID 67873243
ethane;ethyl 2-(2-chloro-4-methylphenyl)benzoate
CID 143972666
ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate
CID 18357939
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylphenyl)benzoate?
The IUPAC name of ethyl 2-(4-methylphenyl)benzoate (CID 10922668) is ethyl 2-(4-methylphenyl)benzoate.
What is the SMILES notation for ethyl 2-(4-methylphenyl)benzoate?
The canonical SMILES for ethyl 2-(4-methylphenyl)benzoate is CCOC(=O)c1ccccc1-c1ccc(C)cc1.
What is the InChIKey of ethyl 2-(4-methylphenyl)benzoate?
The InChIKey is LNXJXSGTLAYHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-18-16(17)15-7-5-4-6-14(15)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methylphenyl)benzoate?
ethyl 2-(4-methylphenyl)benzoate has a molecular weight of 240.30 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenyl)benzoate is sourced from PubChem (CID 10922668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).